ethyl N-(2-carbamoylphenyl)-N-methylcarbamate

C11H14N2O3 — CID 174425529

IUPACethyl N-(2-carbamoylphenyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccccc1C(N)=O
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)13(2)9-7-5-4-6-8(9)10(12)14/h4-7H,3H2,1-2H3,(H2,12,14)
InChIKeyGNYNGPFNOCYWML-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.38
Rot. Bonds3

About ethyl N-(2-carbamoylphenyl)-N-methylcarbamate

ethyl N-(2-carbamoylphenyl)-N-methylcarbamate (PubChem CID 174425529) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl N-(2-carbamoylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-carbamoylphenyl)-N-methylcarbamate
PubChem CID174425529
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl N-(2-carbamoylphenyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccccc1C(N)=O
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)13(2)9-7-5-4-6-8(9)10(12)14/h4-7H,3H2,1-2H3,(H2,12,14)
InChIKeyGNYNGPFNOCYWML-UHFFFAOYSA-N
XLogP1.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chloro 2-[ethoxycarbonyl(methyl)amino]benzoate
CID 174373388
ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
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2-[(2-amino-2-oxoethyl)-methylamino]benzamide
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azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]benzoic acid
CID 61170982
N-(2-carbamothioylphenyl)-N,3-dimethylpentanamide
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propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
2-methylbenzamide;molecular hydrogen
CID 177161283
ethyl N-(5-isocyanato-2-methylphenyl)-N-methylcarbamate
CID 90338881
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
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3-[2-(dimethylamino)phenyl]-2-methylbenzamide
CID 69457619

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-carbamoylphenyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(2-carbamoylphenyl)-N-methylcarbamate (CID 174425529) is ethyl N-(2-carbamoylphenyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(2-carbamoylphenyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(2-carbamoylphenyl)-N-methylcarbamate is CCOC(=O)N(C)c1ccccc1C(N)=O.
What is the InChIKey of ethyl N-(2-carbamoylphenyl)-N-methylcarbamate?
The InChIKey is GNYNGPFNOCYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-16-11(15)13(2)9-7-5-4-6-8(9)10(12)14/h4-7H,3H2,1-2H3,(H2,12,14).
What are the key properties of ethyl N-(2-carbamoylphenyl)-N-methylcarbamate?
ethyl N-(2-carbamoylphenyl)-N-methylcarbamate has a molecular weight of 222.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-carbamoylphenyl)-N-methylcarbamate is sourced from PubChem (CID 174425529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).