Back to Search
Carbetamide
CAS: 16118-49-3 | C12H16N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16118-49-3
Molecular Formula:
C12H16N2O3
Molecular Mass:
236.27 g/mol
Names and Synonyms:
Carbetamide
Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (2R)-
Lactamide, N-ethyl-, carbanilate (ester), D-
Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (R)-
(2R)-N-Ethyl-2-[[(phenylamino)carbonyl]oxy]propanamide
Carbetamide
RP 11561
11561RP
Carbethamide
Carbetamex
Legurame PM
Identifiers:
SMILES:
CCN=C(O)[C@@H](C)OC(O)=Nc1ccccc1
InChI:
InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1
Key Properties
Melting Point
119 °C
CAS Common Chemistry
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 | 236.27 g/mol | CAS Common Chemistry |
| 236.27100000000002 g/mol | RDKit | |
| 236.116092372 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C(=O)NCC)C)NC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AMRQXHFXNZFDCH-SECBINFHSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | Carbetamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.41000000000001 Ų | RDKit |
| LogP | 2.613600000000001 | RDKit |
| Molar Refractivity | 67.31760000000003 | RDKit |
