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Molecule
Napropamide
CAS: 15299-99-7 · C17H21NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15299-99-7
- Molecular Formula
- C17H21NO2
- Molecular Mass
- 271.36 g/mol
Identifiers
CAS Registry Number
15299-99-7
SMILES
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12
InChI Key
WXZVAROIGSFCFJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3
Names and Synonyms
- Napropamide Synonym
- Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)- Synonym
- Propionamide, N,N-diethyl-2-(1-naphthyloxy)- Synonym
- N,N-Diethyl-2-(1-naphthalenyloxy)propanamide Synonym
- R 7465 Synonym
- 2-(α-Naphthoxy)-N,N-diethylpropionamide Synonym
- Napropamide Synonym
- Devrinol Synonym
- Napropamid Synonym
- N,N-Diethyl-2-(1-naphthalenyloxy)propionamide Synonym
- Racemic devrinol Synonym
- (±)-Devrinol Synonym
- N,N-Diethyl-2-(1-naphthyloxy)propanamide Synonym
- N,N-Diethyl-2-(1-naphthoxy)propionamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.36 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(N(CC)CC)C(OC1=CC=CC=2C=CC=CC12)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WXZVAROIGSFCFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | Napropamide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | 3.475500000000002 | RDKit |
| 3.4755 | RDKit | |
| 3.36 | chempirical lib | |
| Molar Refractivity | 81.96600000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3529 | RDKit |
| 0.35 | chempirical lib | |
| Exact Mass | 271.157228912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 271.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H21NO2.
