(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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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).