Back to Search
Molecule
N-[3-[Bis[2-(Acetyloxy)Ethyl]Amino]-4-Methoxyphenyl]Acetamide
CAS: 23128-51-0 · C17H24N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23128-51-0
- Molecular Formula
- C17H24N2O6
- Molecular Mass
- 352.39 g/mol
Identifiers
CAS Registry Number
23128-51-0
SMILES
COc1ccc(N=C(C)O)cc1N(CCOC(C)=O)CCOC(C)=O
InChI Key
AEQXCNSBJJHGGE-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N2O6/c1-12(20)18-15-5-6-17(23-4)16(11-15)19(7-9-24-13(2)21)8-10-25-14(3)22/h5-6,11H,7-10H2,1-4H3,(H,18,20)
Names and Synonyms
- N-[3-[Bis[2-(Acetyloxy)Ethyl]Amino]-4-Methoxyphenyl]Acetamide Systematic Name
- Acetamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]-4-methoxyphenyl]- Synonym
- p-Acetanisidide, 3′-[bis(2-hydroxyethyl)amino]-, diacetate (ester) Synonym
- N-[3-[Bis[2-(acetyloxy)ethyl]amino]-4-methoxyphenyl]acetamide Synonym
- 5-Acetamido-2-methoxy-N,N-bis(2-acetoxyethyl)aniline Synonym
- 3-[Bis(2-acetoxyethyl)amino]-4-methoxyacetanilide Synonym
- 3-N,N-Bis-β-acetoxyethylamino-4-methoxyacetanilide Synonym
- 3-[N,N-Bis(2-acetoxyethyl)amino]-4-methoxyacetanilide Synonym
- 4-(Acetylamino)-2-[di(2-acetoxyethyl)amino]anisole Synonym
- m-[Bis(2-acetoxyethyl)amino]-p-methoxyacetanilide Synonym
- 5-Acetamido-N,N-bis(2-acetoxyethyl)-2-methoxyaniline Synonym
- 5-(Acetylamino)-N,N-bis(2-acetoxyethyl)-2-methoxyaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 352.39 g/mol | CAS Common Chemistry |
| 352.38700000000017 g/mol | RDKit | |
| 352.387 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCN(C1=CC(=CC=C1OC)NC(=O)C)CCOC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H24N2O6/c1-12(20)18-15-5-6-17(23-4)16(11-15)19(7-9-24-13(2)21)8-10-25-14(3)22/h5-6,11H,7-10H2,1-4H3,(H,18,20) | CAS Common Chemistry |
| InChI Key | InChIKey=AEQXCNSBJJHGGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[3-[Bis[2-(acetyloxy)ethyl]amino]-4-methoxyphenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 97.66000000000003 Ų | RDKit |
| 97.66 Ų | RDKit | |
| 97.43 Ų | chempirical lib | |
| LogP | 2.2357000000000005 | RDKit |
| 2.2357 | RDKit | |
| 2.2 | chempirical lib | |
| Molar Refractivity | 93.87080000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4706 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 352.16343648799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 352.39 g/mol. Edit any field — others recompute live.
