(3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one

C19H22N2O — CID 6335691

IUPAC(3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one
SMILESC[C@H]1C[C@H](NCCc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-15-14-18(20-13-12-16-8-4-2-5-9-16)19(22)21(15)17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3/t15-,18-/m0/s1
InChIKeyQYKPUVMWYRJBMW-YJBOKZPZSA-N
MW294.40 g/mol
LogP3.01
Rot. Bonds5

About (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one

(3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one (PubChem CID 6335691) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one
PubChem CID6335691
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one
SMILESC[C@H]1C[C@H](NCCc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-15-14-18(20-13-12-16-8-4-2-5-9-16)19(22)21(15)17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3/t15-,18-/m0/s1
InChIKeyQYKPUVMWYRJBMW-YJBOKZPZSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 122031658
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
2-amino-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 119806331
3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide
CID 125120172
(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152093
2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 124626029
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide
CID 124873611
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 127871854
1-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 119336522

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one?
The IUPAC name of (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one (CID 6335691) is (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one is C[C@H]1C[C@H](NCCc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one?
The InChIKey is QYKPUVMWYRJBMW-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-14-18(20-13-12-16-8-4-2-5-9-16)19(22)21(15)17-10-6-3-7-11-17/h2-11,15,18,20H,12-14H2,1H3/t15-,18-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one?
(3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one is sourced from PubChem (CID 6335691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).