phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate

C14H19NO3 — CID 65110390

IUPACphenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
SMILESO=C(NCC1(O)CCCCC1)Oc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(18-12-7-3-1-4-8-12)15-11-14(17)9-5-2-6-10-14/h1,3-4,7-8,17H,2,5-6,9-11H2,(H,15,16)
InChIKeyNDIJYUAJSVOTGJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.47
Rot. Bonds3

About phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate

phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate (PubChem CID 65110390) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
PubChem CID65110390
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namephenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
SMILESO=C(NCC1(O)CCCCC1)Oc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(18-12-7-3-1-4-8-12)15-11-14(17)9-5-2-6-10-14/h1,3-4,7-8,17H,2,5-6,9-11H2,(H,15,16)
InChIKeyNDIJYUAJSVOTGJ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
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phenyl 2-(1-hydroxycyclohexyl)acetate
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phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
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phenyl N-(1-methylcyclodecyl)carbamate
CID 130359275
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
N-[(1-hydroxycyclopentyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111499089

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate?
The IUPAC name of phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate (CID 65110390) is phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate?
The canonical SMILES for phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate is O=C(NCC1(O)CCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate?
The InChIKey is NDIJYUAJSVOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(18-12-7-3-1-4-8-12)15-11-14(17)9-5-2-6-10-14/h1,3-4,7-8,17H,2,5-6,9-11H2,(H,15,16).
What are the key properties of phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate?
phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate is sourced from PubChem (CID 65110390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).