benzyl N-[(3-methylcyclohexyl)methyl]carbamate

C16H23NO2 — CID 130157820

IUPACbenzyl N-[(3-methylcyclohexyl)methyl]carbamate
SMILESCC1CCCC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13-6-5-9-15(10-13)11-17-16(18)19-12-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,18)
InChIKeyYEZUNTDFTNDAKC-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.74
Rot. Bonds4

About benzyl N-[(3-methylcyclohexyl)methyl]carbamate

benzyl N-[(3-methylcyclohexyl)methyl]carbamate (PubChem CID 130157820) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is benzyl N-[(3-methylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-methylcyclohexyl)methyl]carbamate
PubChem CID130157820
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Namebenzyl N-[(3-methylcyclohexyl)methyl]carbamate
SMILESCC1CCCC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13-6-5-9-15(10-13)11-17-16(18)19-12-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,18)
InChIKeyYEZUNTDFTNDAKC-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl 2-[(1S,3R)-3-methylcyclohexyl]acetate
CID 135265580
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
benzyl N-(thian-3-ylmethyl)carbamate
CID 130813410
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-methylcyclohexyl)methyl]carbamate?
The IUPAC name of benzyl N-[(3-methylcyclohexyl)methyl]carbamate (CID 130157820) is benzyl N-[(3-methylcyclohexyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(3-methylcyclohexyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(3-methylcyclohexyl)methyl]carbamate is CC1CCCC(CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[(3-methylcyclohexyl)methyl]carbamate?
The InChIKey is YEZUNTDFTNDAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-6-5-9-15(10-13)11-17-16(18)19-12-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,18).
What are the key properties of benzyl N-[(3-methylcyclohexyl)methyl]carbamate?
benzyl N-[(3-methylcyclohexyl)methyl]carbamate has a molecular weight of 261.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-methylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 130157820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).