Back to Search
N-[3-[Bis(2-Hydroxyethyl)Amino]-4-Methoxyphenyl]Acetamide
CAS: 24530-67-4 | C13H20N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24530-67-4
Molecular Formula:
C13H20N2O4
Molecular Mass:
268.31 g/mol
Names and Synonyms:
N-[3-[Bis(2-Hydroxyethyl)Amino]-4-Methoxyphenyl]Acetamide
Acetamide, N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]-
p-Acetanisidide, 3′-[bis(2-hydroxyethyl)amino]-
N-[3-[Bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
2-Methoxy-5-acetylamino-N,N-di(β-hydroxyethyl)aniline
N,N-Bis(2-hydroxyethyl)-5-acetamido-2-methoxyaniline
3′-[Bis(2-hydroxyethyl)amino]-4′-methoxyacetanilide
2-[N,N-Di(2-hydroxyethyl)amino]-4-(acetylamino)anisole
N-(3-(Bis(2-hydroxyethyl) amino)-4-methoxyphenyl)acetamide
Identifiers:
SMILES:
COc1ccc(N=C(C)O)cc1N(CCO)CCO
InChI:
InChI=1S/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.31 g/mol | CAS Common Chemistry |
| 268.31299999999993 g/mol | RDKit | |
| 268.14230712 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC)C(=C1)N(CCO)CCO)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18) | CAS Common Chemistry |
| InChI Key | InChIKey=UIQVGOZJVVAPOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[3-[Bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 85.52000000000001 Ų | RDKit |
| LogP | 1.0940999999999999 | RDKit |
| Molar Refractivity | 74.77640000000002 | RDKit |
