3-hydroxybutyl N-benzylcarbamate

C12H17NO3 — CID 142744474

IUPAC3-hydroxybutyl N-benzylcarbamate
SMILESCC(O)CCOC(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(14)7-8-16-12(15)13-9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyPILKERZWESLODK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.68
Rot. Bonds5

About 3-hydroxybutyl N-benzylcarbamate

3-hydroxybutyl N-benzylcarbamate (PubChem CID 142744474) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-hydroxybutyl N-benzylcarbamate.

Molecular Properties

Compound Name3-hydroxybutyl N-benzylcarbamate
PubChem CID142744474
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-hydroxybutyl N-benzylcarbamate
SMILESCC(O)CCOC(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-10(14)7-8-16-12(15)13-9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyPILKERZWESLODK-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;ethyl N-benzylcarbamate
CID 67715166
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
benzyl 3-hydroxybutyl carbonate
CID 15121666
[(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate
CID 67616235
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
2-ethylpentyl N-benzylcarbamate
CID 58269941
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2-methylpropyl] N-benzylcarbamate
CID 121431629
2-aminohexyl N-benzylcarbamate
CID 142770372
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutyl N-benzylcarbamate?
The IUPAC name of 3-hydroxybutyl N-benzylcarbamate (CID 142744474) is 3-hydroxybutyl N-benzylcarbamate.
What is the SMILES notation for 3-hydroxybutyl N-benzylcarbamate?
The canonical SMILES for 3-hydroxybutyl N-benzylcarbamate is CC(O)CCOC(=O)NCc1ccccc1.
What is the InChIKey of 3-hydroxybutyl N-benzylcarbamate?
The InChIKey is PILKERZWESLODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(14)7-8-16-12(15)13-9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15).
What are the key properties of 3-hydroxybutyl N-benzylcarbamate?
3-hydroxybutyl N-benzylcarbamate has a molecular weight of 223.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutyl N-benzylcarbamate is sourced from PubChem (CID 142744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).