benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate

C23H25N3O3 — CID 10111041

IUPACbenzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate
SMILESN#C[C@H](NC(=O)C1CCCC[C@H]1NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c24-15-21(18-11-5-2-6-12-18)25-22(27)19-13-7-8-14-20(19)26-23(28)29-16-17-9-3-1-4-10-17/h1-6,9-12,19-21H,7-8,13-14,16H2,(H,25,27)(H,26,28)/t19?,20-,21+/m1/s1
InChIKeyJBRPDOSRLVWZNO-JUODMZLFSA-N
MW391.47 g/mol
LogP3.85
Rot. Bonds6

About benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate

benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate (PubChem CID 10111041) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate
PubChem CID10111041
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namebenzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate
SMILESN#C[C@H](NC(=O)C1CCCC[C@H]1NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c24-15-21(18-11-5-2-6-12-18)25-22(27)19-13-7-8-14-20(19)26-23(28)29-16-17-9-3-1-4-10-17/h1-6,9-12,19-21H,7-8,13-14,16H2,(H,25,27)(H,26,28)/t19?,20-,21+/m1/s1
InChIKeyJBRPDOSRLVWZNO-JUODMZLFSA-N
XLogP3.85
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]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

benzyl N-[(1R,2S)-2-[[cyano-(3,4-dimethoxyphenyl)methyl]carbamoyl]cyclopentyl]carbamate
CID 10113964
cis-(1R,2S)-N-[(R)-cyano(phenyl)methyl]-2-[[(Z)-3-phenylprop-2-enoyl]amino]cyclohexane-1-carboxamide
CID 10178290
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate
CID 10992678
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
benzyl N-[2-[cyano(3-methylbutyl)carbamoyl]cyclohexyl]carbamate
CID 87876845
benzyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701403
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
CID 23636183
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
cis-methyl (1S,2R)-2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclobutane-1-carboxylate
CID 101218865
benzyl N-[cyano(pyridin-4-yl)methyl]carbamate
CID 133060919
cis-(1S,2R)-2-amino-N-propan-2-ylcyclobutane-1-carboxamide;cis-(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 158242863

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate (CID 10111041) is benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate is N#C[C@H](NC(=O)C1CCCC[C@H]1NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate?
The InChIKey is JBRPDOSRLVWZNO-JUODMZLFSA-N. The full InChI is InChI=1S/C23H25N3O3/c24-15-21(18-11-5-2-6-12-18)25-22(27)19-13-7-8-14-20(19)26-23(28)29-16-17-9-3-1-4-10-17/h1-6,9-12,19-21H,7-8,13-14,16H2,(H,25,27)(H,26,28)/t19?,20-,21+/m1/s1.
What are the key properties of benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate?
benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate has a molecular weight of 391.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 10111041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).