benzyl N-(3-hydroxycyclohexyl)carbamate

C14H19NO3 — CID 14476840

IUPACbenzyl N-(3-hydroxycyclohexyl)carbamate
SMILESO=C(NC1CCCC(O)C1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)
InChIKeyFYIZIYCXUSGNLZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds3

About benzyl N-(3-hydroxycyclohexyl)carbamate

benzyl N-(3-hydroxycyclohexyl)carbamate (PubChem CID 14476840) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-(3-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-hydroxycyclohexyl)carbamate
PubChem CID14476840
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-(3-hydroxycyclohexyl)carbamate
SMILESO=C(NC1CCCC(O)C1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)
InChIKeyFYIZIYCXUSGNLZ-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-hydroxycyclohexyl)carbamate?
The IUPAC name of benzyl N-(3-hydroxycyclohexyl)carbamate (CID 14476840) is benzyl N-(3-hydroxycyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(3-hydroxycyclohexyl)carbamate?
The canonical SMILES for benzyl N-(3-hydroxycyclohexyl)carbamate is O=C(NC1CCCC(O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-hydroxycyclohexyl)carbamate?
The InChIKey is FYIZIYCXUSGNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17).
What are the key properties of benzyl N-(3-hydroxycyclohexyl)carbamate?
benzyl N-(3-hydroxycyclohexyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 14476840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).