(2-hydroxycyclohexyl) N-benzylcarbamate

C14H19NO3 — CID 174552580

IUPAC(2-hydroxycyclohexyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCCCC1O
InChIInChI=1S/C14H19NO3/c16-12-8-4-5-9-13(12)18-14(17)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17)
InChIKeyORGQTJYGBTXGMQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds3

About (2-hydroxycyclohexyl) N-benzylcarbamate

(2-hydroxycyclohexyl) N-benzylcarbamate (PubChem CID 174552580) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-hydroxycyclohexyl) N-benzylcarbamate.

Molecular Properties

Compound Name(2-hydroxycyclohexyl) N-benzylcarbamate
PubChem CID174552580
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2-hydroxycyclohexyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCCCC1O
InChIInChI=1S/C14H19NO3/c16-12-8-4-5-9-13(12)18-14(17)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17)
InChIKeyORGQTJYGBTXGMQ-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

(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
CID 66880105
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
[4-(4-aminophenyl)-1-phenyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-5-yl] N-benzylcarbamate
CID 122495789
[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate
CID 53301160
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
CID 175263184
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
CID 177145440
N-benzylcyclopentanecarboxamide
CID 835634
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclohexyl) N-benzylcarbamate?
The IUPAC name of (2-hydroxycyclohexyl) N-benzylcarbamate (CID 174552580) is (2-hydroxycyclohexyl) N-benzylcarbamate.
What is the SMILES notation for (2-hydroxycyclohexyl) N-benzylcarbamate?
The canonical SMILES for (2-hydroxycyclohexyl) N-benzylcarbamate is O=C(NCc1ccccc1)OC1CCCCC1O.
What is the InChIKey of (2-hydroxycyclohexyl) N-benzylcarbamate?
The InChIKey is ORGQTJYGBTXGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-12-8-4-5-9-13(12)18-14(17)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17).
What are the key properties of (2-hydroxycyclohexyl) N-benzylcarbamate?
(2-hydroxycyclohexyl) N-benzylcarbamate 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 (2-hydroxycyclohexyl) N-benzylcarbamate is sourced from PubChem (CID 174552580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).