(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one

C32H30N2O2 — CID 11719836

IUPAC(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one
SMILESO=C(CN[C@H]1CCN(C(c2ccccc2)c2ccccc2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O2/c35-29(30(24-13-5-1-6-14-24)25-15-7-2-8-16-25)23-33-28-21-22-34(32(28)36)31(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30-31,33H,21-23H2/t28-/m0/s1
InChIKeyFIBBXQYEQXCYKO-NDEPHWFRSA-N
MW474.60 g/mol
LogP5.37
Rot. Bonds9

About (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one

(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one (PubChem CID 11719836) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one
PubChem CID11719836
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one
SMILESO=C(CN[C@H]1CCN(C(c2ccccc2)c2ccccc2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O2/c35-29(30(24-13-5-1-6-14-24)25-15-7-2-8-16-25)23-33-28-21-22-34(32(28)36)31(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30-31,33H,21-23H2/t28-/m0/s1
InChIKeyFIBBXQYEQXCYKO-NDEPHWFRSA-N
XLogP5.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzhydryl-2-oxopyrrolidine-3-carboxylic acid
CID 125116655
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 18433521
(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one
CID 59905959
(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid
CID 69066892
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591603
1-phenyl-3-(2-phenylpropylamino)pyrrolidin-2-one
CID 119127757
1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride
CID 45261948
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one (CID 11719836) is (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one is O=C(CN[C@H]1CCN(C(c2ccccc2)c2ccccc2)C1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one?
The InChIKey is FIBBXQYEQXCYKO-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H30N2O2/c35-29(30(24-13-5-1-6-14-24)25-15-7-2-8-16-25)23-33-28-21-22-34(32(28)36)31(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30-31,33H,21-23H2/t28-/m0/s1.
What are the key properties of (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one?
(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one has a molecular weight of 474.60 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 11719836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).