benzyl N-(3-methylcyclohexyl)carbamate

C15H21NO2 — CID 67989254

IUPACbenzyl N-(3-methylcyclohexyl)carbamate
SMILESCC1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12-6-5-9-14(10-12)16-15(17)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyGUPZZKCBPMOIIZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.49
Rot. Bonds3

About benzyl N-(3-methylcyclohexyl)carbamate

benzyl N-(3-methylcyclohexyl)carbamate (PubChem CID 67989254) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl N-(3-methylcyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-methylcyclohexyl)carbamate
PubChem CID67989254
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl N-(3-methylcyclohexyl)carbamate
SMILESCC1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12-6-5-9-14(10-12)16-15(17)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyGUPZZKCBPMOIIZ-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-(3-methylcyclohexyl)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-cyclobutylcarbamate;carbonic acid
CID 66730699
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-[(1S,3R)-3-aminocyclohexyl]carbamate;benzyl N-[(1S,3R)-3-methylcyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 162036532
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
3-(3-methylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103695947
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate
CID 123760520

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-methylcyclohexyl)carbamate?
The IUPAC name of benzyl N-(3-methylcyclohexyl)carbamate (CID 67989254) is benzyl N-(3-methylcyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(3-methylcyclohexyl)carbamate?
The canonical SMILES for benzyl N-(3-methylcyclohexyl)carbamate is CC1CCCC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-(3-methylcyclohexyl)carbamate?
The InChIKey is GUPZZKCBPMOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-6-5-9-14(10-12)16-15(17)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of benzyl N-(3-methylcyclohexyl)carbamate?
benzyl N-(3-methylcyclohexyl)carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-methylcyclohexyl)carbamate is sourced from PubChem (CID 67989254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).