ethyl N-[cyano(phenyl)methyl]carbamate

C11H12N2O2 — CID 60763548

IUPACethyl N-[cyano(phenyl)methyl]carbamate
SMILESCCOC(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)13-10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)
InChIKeyFBZCXHZOUQMCOB-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.00
Rot. Bonds3

About ethyl N-[cyano(phenyl)methyl]carbamate

ethyl N-[cyano(phenyl)methyl]carbamate (PubChem CID 60763548) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl N-[cyano(phenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[cyano(phenyl)methyl]carbamate
PubChem CID60763548
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl N-[cyano(phenyl)methyl]carbamate
SMILESCCOC(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)13-10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)
InChIKeyFBZCXHZOUQMCOB-UHFFFAOYSA-N
XLogP2.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[cyano(phenyl)methyl]carbamate 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

[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
benzyl N-[cyano(pyridin-4-yl)methyl]carbamate
CID 133060919
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
CID 7315555
N-[cyano(phenyl)methyl]-2-propylpentanamide
CID 82984597
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
tert-butyl N-(2-amino-2-oxo-1-phenylethyl)carbamate;tert-butyl N-[cyano(phenyl)methyl]carbamate
CID 162021419
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
CID 102239022

Frequently Asked Questions

What is the IUPAC name of ethyl N-[cyano(phenyl)methyl]carbamate?
The IUPAC name of ethyl N-[cyano(phenyl)methyl]carbamate (CID 60763548) is ethyl N-[cyano(phenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[cyano(phenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[cyano(phenyl)methyl]carbamate is CCOC(=O)NC(C#N)c1ccccc1.
What is the InChIKey of ethyl N-[cyano(phenyl)methyl]carbamate?
The InChIKey is FBZCXHZOUQMCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)13-10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14).
What are the key properties of ethyl N-[cyano(phenyl)methyl]carbamate?
ethyl N-[cyano(phenyl)methyl]carbamate has a molecular weight of 204.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[cyano(phenyl)methyl]carbamate is sourced from PubChem (CID 60763548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).