benzyl N-(1-phenylbutyl)carbamate

C18H21NO2 — CID 101400436

IUPACbenzyl N-(1-phenylbutyl)carbamate
SMILESCCCC(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-8,10-13,17H,2,9,14H2,1H3,(H,19,20)
InChIKeyYWCXAWAHNBYBEF-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.45
Rot. Bonds6

About benzyl N-(1-phenylbutyl)carbamate

benzyl N-(1-phenylbutyl)carbamate (PubChem CID 101400436) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is benzyl N-(1-phenylbutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-phenylbutyl)carbamate
PubChem CID101400436
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namebenzyl N-(1-phenylbutyl)carbamate
SMILESCCCC(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-8,10-13,17H,2,9,14H2,1H3,(H,19,20)
InChIKeyYWCXAWAHNBYBEF-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-(1-aminobutyl)carbamate
CID 3840640
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
CID 172826308
2,2,2-trifluoroethyl N-(1-phenylbutyl)carbamate
CID 60705858
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
CID 11689462
2-deuterio-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 87244341
[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] methanesulfonate
CID 142462159
1-phenylbutylurea
CID 2852079
benzyl N-(4-methylheptan-2-yl)carbamate
CID 123859243

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-phenylbutyl)carbamate?
The IUPAC name of benzyl N-(1-phenylbutyl)carbamate (CID 101400436) is benzyl N-(1-phenylbutyl)carbamate.
What is the SMILES notation for benzyl N-(1-phenylbutyl)carbamate?
The canonical SMILES for benzyl N-(1-phenylbutyl)carbamate is CCCC(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-(1-phenylbutyl)carbamate?
The InChIKey is YWCXAWAHNBYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-8,10-13,17H,2,9,14H2,1H3,(H,19,20).
What are the key properties of benzyl N-(1-phenylbutyl)carbamate?
benzyl N-(1-phenylbutyl)carbamate has a molecular weight of 283.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-phenylbutyl)carbamate is sourced from PubChem (CID 101400436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).