ethyl N-phenylcarbamate

C9H11NO2 — CID 7591

IUPACethyl N-phenylcarbamate
SMILESCCOC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKeyLBKPGNUOUPTQKA-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.26
Rot. Bonds2

About ethyl N-phenylcarbamate

ethyl N-phenylcarbamate (PubChem CID 7591) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-phenylcarbamate
PubChem CID7591
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Nameethyl N-phenylcarbamate
SMILESCCOC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKeyLBKPGNUOUPTQKA-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 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

Frequently Asked Questions

What is the IUPAC name of ethyl N-phenylcarbamate?
The IUPAC name of ethyl N-phenylcarbamate (CID 7591) is ethyl N-phenylcarbamate.
What is the SMILES notation for ethyl N-phenylcarbamate?
The canonical SMILES for ethyl N-phenylcarbamate is CCOC(=O)Nc1ccccc1.
What is the InChIKey of ethyl N-phenylcarbamate?
The InChIKey is LBKPGNUOUPTQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11).
What are the key properties of ethyl N-phenylcarbamate?
ethyl N-phenylcarbamate has a molecular weight of 165.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-phenylcarbamate is sourced from PubChem (CID 7591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).