1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one

C20H24N2O2 — CID 95590635

IUPAC1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H](O)CNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c23-19(15-22-12-4-7-20(22)24)14-21-13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21,23H,4,7,12-15H2/t19-/m0/s1
InChIKeyOOBNEKVVXOKNJQ-IBGZPJMESA-N
MW324.42 g/mol
LogP2.43
Rot. Bonds7

About 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one

1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 95590635) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
PubChem CID95590635
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H](O)CNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c23-19(15-22-12-4-7-20(22)24)14-21-13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21,23H,4,7,12-15H2/t19-/m0/s1
InChIKeyOOBNEKVVXOKNJQ-IBGZPJMESA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxypropyl]pyrrolidin-2-one
CID 10980871
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one
CID 97065331
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide
CID 95787883
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea
CID 94783682
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one (CID 95590635) is 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H](O)CNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is OOBNEKVVXOKNJQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(15-22-12-4-7-20(22)24)14-21-13-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21,23H,4,7,12-15H2/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one?
1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95590635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).