benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate

C21H25NO2 — CID 71093991

IUPACbenzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
SMILESCC1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c1-17-12-14-20(15-13-17)22(19-10-6-3-7-11-19)21(23)24-16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3
InChIKeyJSUGIMUUNGJWMW-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.41
Rot. Bonds4

About benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate

benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate (PubChem CID 71093991) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate.

Molecular Properties

Compound Namebenzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
PubChem CID71093991
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namebenzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
SMILESCC1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c1-17-12-14-20(15-13-17)22(19-10-6-3-7-11-19)21(23)24-16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3
InChIKeyJSUGIMUUNGJWMW-UHFFFAOYSA-N
XLogP5.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]piperidin-4-yl]-N-phenylcarbamate
CID 27281865
benzyl N-[1-(1-hydroxy-1-phenylpropan-2-yl)piperidin-4-yl]-N-phenylcarbamate
CID 53487169
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
chloro N-cyclopropyl-N-phenylcarbamate
CID 174185498
benzyl 1-hydroxy-4-methylcyclohexane-1-carboxylate
CID 175022873
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
benzyl N-amino-N-phenylcarbamate
CID 54267520
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate?
The IUPAC name of benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate (CID 71093991) is benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate.
What is the SMILES notation for benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate?
The canonical SMILES for benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate is CC1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate?
The InChIKey is JSUGIMUUNGJWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-17-12-14-20(15-13-17)22(19-10-6-3-7-11-19)21(23)24-16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3.
What are the key properties of benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate?
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate has a molecular weight of 323.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate is sourced from PubChem (CID 71093991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).