2-ethylpentyl N-benzylcarbamate

C15H23NO2 — CID 58269941

IUPAC2-ethylpentyl N-benzylcarbamate
SMILESCCCC(CC)COC(=O)NCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-8-13(4-2)12-18-15(17)16-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,16,17)
InChIKeyPSOOGVFNXVAASD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.74
Rot. Bonds7

About 2-ethylpentyl N-benzylcarbamate

2-ethylpentyl N-benzylcarbamate (PubChem CID 58269941) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethylpentyl N-benzylcarbamate.

Molecular Properties

Compound Name2-ethylpentyl N-benzylcarbamate
PubChem CID58269941
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethylpentyl N-benzylcarbamate
SMILESCCCC(CC)COC(=O)NCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-8-13(4-2)12-18-15(17)16-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,16,17)
InChIKeyPSOOGVFNXVAASD-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminohexyl N-benzylcarbamate
CID 142770372
benzene;ethyl N-benzylcarbamate
CID 67715166
[(2S)-1-amino-1-oxopentan-2-yl] N-benzylcarbamate
CID 175581620
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
3-hydroxybutyl N-benzylcarbamate
CID 142744474
2-amino-N-benzylpentanamide
CID 11020044
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2-methylpropyl] N-benzylcarbamate
CID 121431629
(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
CID 132559738
N-benzyl-2-hydroxypentanamide
CID 141058656
1-(4-amino-2-ethylbutyl)-3-benzylurea
CID 107654554
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentyl N-benzylcarbamate?
The IUPAC name of 2-ethylpentyl N-benzylcarbamate (CID 58269941) is 2-ethylpentyl N-benzylcarbamate.
What is the SMILES notation for 2-ethylpentyl N-benzylcarbamate?
The canonical SMILES for 2-ethylpentyl N-benzylcarbamate is CCCC(CC)COC(=O)NCc1ccccc1.
What is the InChIKey of 2-ethylpentyl N-benzylcarbamate?
The InChIKey is PSOOGVFNXVAASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-8-13(4-2)12-18-15(17)16-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,16,17).
What are the key properties of 2-ethylpentyl N-benzylcarbamate?
2-ethylpentyl N-benzylcarbamate has a molecular weight of 249.35 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentyl N-benzylcarbamate is sourced from PubChem (CID 58269941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).