phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate

C16H16N2O3 — CID 60734083

IUPACphenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-18(16(20)21-14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(17)19/h2-10H,11H2,1H3,(H2,17,19)
InChIKeyRZKWKHLRPJQQJQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.42
Rot. Bonds4

About phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate

phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate (PubChem CID 60734083) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
PubChem CID60734083
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namephenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-18(16(20)21-14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(17)19/h2-10H,11H2,1H3,(H2,17,19)
InChIKeyRZKWKHLRPJQQJQ-UHFFFAOYSA-N
XLogP2.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
CID 13371954
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184
4-[[carbamoyl(methyl)amino]methyl]benzoic acid
CID 23550089

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate (CID 60734083) is phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate is CN(Cc1ccc(C(N)=O)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate?
The InChIKey is RZKWKHLRPJQQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(16(20)21-14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(17)19/h2-10H,11H2,1H3,(H2,17,19).
What are the key properties of phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate?
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate has a molecular weight of 284.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 60734083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).