phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate

C14H18N2O3 — CID 115596760

IUPACphenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
SMILESCC(NC(=O)Oc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O3/c1-11(13(17)16-9-5-6-10-16)15-14(18)19-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,18)
InChIKeyCNSDXESZNSZHMC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.79
Rot. Bonds3

About phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate

phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate (PubChem CID 115596760) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
PubChem CID115596760
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namephenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
SMILESCC(NC(=O)Oc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O3/c1-11(13(17)16-9-5-6-10-16)15-14(18)19-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,18)
InChIKeyCNSDXESZNSZHMC-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 2462402
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
phenyl N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110349033
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 75358425
(3S)-4-oxo-3-[[(2S)-1-[2-(phenoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butanoic acid
CID 89206466

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The IUPAC name of phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate (CID 115596760) is phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The canonical SMILES for phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate is CC(NC(=O)Oc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The InChIKey is CNSDXESZNSZHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(13(17)16-9-5-6-10-16)15-14(18)19-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,18).
What are the key properties of phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate is sourced from PubChem (CID 115596760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).