benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate

C21H23NO3 — CID 14688339

IUPACbenzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)C1CCCCC1=O)OCc1ccccc1
InChIInChI=1S/C21H23NO3/c23-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)22-21(24)25-15-16-9-3-1-4-10-16/h1-6,9-12,18,20H,7-8,13-15H2,(H,22,24)
InChIKeyOARXJLBVEGMILY-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.41
Rot. Bonds5

About benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate

benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate (PubChem CID 14688339) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate
PubChem CID14688339
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Namebenzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)C1CCCCC1=O)OCc1ccccc1
InChIInChI=1S/C21H23NO3/c23-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)22-21(24)25-15-16-9-3-1-4-10-16/h1-6,9-12,18,20H,7-8,13-15H2,(H,22,24)
InChIKeyOARXJLBVEGMILY-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(2-oxocyclohexyl)-phenylmethyl]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

(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
CID 99625
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
(S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)-1-oxo-3-phenylpropan-2-ylcarbamate
CID 24898024
Cathepsin L Inhibitor I
CID 16760359
Benzyl 1-phenylethylcarbamate
CID 9837961
(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
(R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid
CID 87183
(((Phenylmethoxy)carbonyl)amino)phenylacetic acid
CID 98996
Cbz-L-Phenylalaninal
CID 7021150
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088
benzyl 1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl(ethyl)carbamate
CID 44590752
CID 137651934
CID 137651934

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate (CID 14688339) is benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate is O=C(NC(c1ccccc1)C1CCCCC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
The InChIKey is OARXJLBVEGMILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)22-21(24)25-15-16-9-3-1-4-10-16/h1-6,9-12,18,20H,7-8,13-15H2,(H,22,24).
What are the key properties of benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate?
benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-oxocyclohexyl)-phenylmethyl]carbamate is sourced from PubChem (CID 14688339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).