benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate

C19H21NO3 — CID 162403340

IUPACbenzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate
SMILESC[C@H](CC=O)CN(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-16(12-13-21)14-20(18-10-6-3-7-11-18)19(22)23-15-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3/t16-/m1/s1
InChIKeyODOPMXVHQFZCGF-MRXNPFEDSA-N
MW311.38 g/mol
LogP4.05
Rot. Bonds7

About benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate

benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate (PubChem CID 162403340) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate
PubChem CID162403340
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate
SMILESC[C@H](CC=O)CN(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-16(12-13-21)14-20(18-10-6-3-7-11-18)19(22)23-15-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3/t16-/m1/s1
InChIKeyODOPMXVHQFZCGF-MRXNPFEDSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl [4-oxobutan-2-yl(phenylmethoxycarbonyl)amino] carbonate
CID 74931065
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benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22855125
4-O-benzyl 1-O-tert-butyl (2S)-3-[[benzyl(phenylmethoxycarbonyl)amino]methyl]-2-(2-oxoethyl)butanedioate;ethane
CID 91150716
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N-[(E,2R)-2-hydroxypent-3-enyl]-N-propan-2-ylcarbamate
CID 10869586
benzyl N,N-dimethylcarbamate
CID 12963450
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate?
The IUPAC name of benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate (CID 162403340) is benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate.
What is the SMILES notation for benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate?
The canonical SMILES for benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate is C[C@H](CC=O)CN(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate?
The InChIKey is ODOPMXVHQFZCGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21NO3/c1-16(12-13-21)14-20(18-10-6-3-7-11-18)19(22)23-15-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3/t16-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate?
benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate has a molecular weight of 311.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-methyl-4-oxobutyl]-N-phenylcarbamate is sourced from PubChem (CID 162403340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).