(4-methylphenyl) N-phenylcarbamate

C14H13NO2 — CID 27816

IUPAC(4-methylphenyl) N-phenylcarbamate
SMILESCc1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO2/c1-11-7-9-13(10-8-11)17-14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChIKeyPHGYDISVSYRXHT-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.61
Rot. Bonds2

About (4-methylphenyl) N-phenylcarbamate

(4-methylphenyl) N-phenylcarbamate (PubChem CID 27816) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4-methylphenyl) N-phenylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-phenylcarbamate
PubChem CID27816
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(4-methylphenyl) N-phenylcarbamate
SMILESCc1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO2/c1-11-7-9-13(10-8-11)17-14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChIKeyPHGYDISVSYRXHT-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methylphenyl) N-phenylcarbamate 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

Phenmedipham
CID 24744
4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
Isopropyl N-(4-methoxyphenyl)carbamate
CID 186315
5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 322632
4-Amino-4'-methoxystilbene
CID 5376491
N-(4-Methoxybenzyl)aniline
CID 408377
Acetamide, N-(2-methoxy-5-methylphenyl)-
CID 81412
(3-Aminophenyl) N-(3-methylphenyl)carbamate
CID 139597871
N-(4-methoxyphenyl)-3-phenylprop-2-ynamide
CID 6470129
p-Methyoxyphenol carbanilate
CID 29508
N-(Cinnamoyl)-4-methoxyaniline
CID 690965
Ethyl (4-phenoxyphenyl)carbamate
CID 898756

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-phenylcarbamate?
The IUPAC name of (4-methylphenyl) N-phenylcarbamate (CID 27816) is (4-methylphenyl) N-phenylcarbamate.
What is the SMILES notation for (4-methylphenyl) N-phenylcarbamate?
The canonical SMILES for (4-methylphenyl) N-phenylcarbamate is Cc1ccc(OC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl) N-phenylcarbamate?
The InChIKey is PHGYDISVSYRXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11-7-9-13(10-8-11)17-14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16).
What are the key properties of (4-methylphenyl) N-phenylcarbamate?
(4-methylphenyl) N-phenylcarbamate has a molecular weight of 227.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-phenylcarbamate is sourced from PubChem (CID 27816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).