(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide

C18H18N2O2 — CID 139058611

IUPAC(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2ccccc2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c19-17(22)18(15-9-5-2-6-10-15)12-11-16(21)20(18)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,19,22)/t18-/m0/s1
InChIKeyNKDXHZDLLHXGIS-SFHVURJKSA-N
MW294.35 g/mol
LogP2.19
Rot. Bonds4

About (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide

(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide (PubChem CID 139058611) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide
PubChem CID139058611
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2ccccc2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c19-17(22)18(15-9-5-2-6-10-15)12-11-16(21)20(18)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,19,22)/t18-/m0/s1
InChIKeyNKDXHZDLLHXGIS-SFHVURJKSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
CID 135039839
1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
(3aR)-4-benzyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
CID 7129097
(4aR)-1-benzyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylic acid
CID 125461618
4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one
CID 143719662
1-benzyl-8-(2-hydroxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155862188
(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
CID 86338341

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide (CID 139058611) is (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide is NC(=O)[C@@]1(c2ccccc2)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide?
The InChIKey is NKDXHZDLLHXGIS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-17(22)18(15-9-5-2-6-10-15)12-11-16(21)20(18)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,19,22)/t18-/m0/s1.
What are the key properties of (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide?
(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 139058611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).