(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one

C37H36N2O5 — CID 24756264

IUPAC(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one
SMILESCOc1ccc(CN2CC[C@](C(=O)[C@@]3(c4ccccc4)CCN(Cc4ccc(OC)cc4)C3=O)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C37H36N2O5/c1-43-31-17-13-27(14-18-31)25-38-23-21-36(34(38)41,29-9-5-3-6-10-29)33(40)37(30-11-7-4-8-12-30)22-24-39(35(37)42)26-28-15-19-32(44-2)20-16-28/h3-20H,21-26H2,1-2H3/t36-,37+
InChIKeyKYADDSWVYSMSJJ-JXLNJXQWSA-N
MW588.70 g/mol
LogP5.31
Rot. Bonds10

About (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one

(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one (PubChem CID 24756264) has the molecular formula C37H36N2O5 and a molecular weight of 588.70 g/mol. Its IUPAC name is (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one
PubChem CID24756264
Molecular FormulaC37H36N2O5
Molecular Weight588.70 g/mol
Exact Mass588.26
IUPAC Name(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one
SMILESCOc1ccc(CN2CC[C@](C(=O)[C@@]3(c4ccccc4)CCN(Cc4ccc(OC)cc4)C3=O)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C37H36N2O5/c1-43-31-17-13-27(14-18-31)25-38-23-21-36(34(38)41,29-9-5-3-6-10-29)33(40)37(30-11-7-4-8-12-30)22-24-39(35(37)42)26-28-15-19-32(44-2)20-16-28/h3-20H,21-26H2,1-2H3/t36-,37+
InChIKeyKYADDSWVYSMSJJ-JXLNJXQWSA-N
XLogP5.31
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
CID 175141193
1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
CID 142987888
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate
CID 59999290
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 91909934
2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
CID 90319948
2-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8a-phenyl-7,8-dihydro-3H-isoquinoline-1,6-dione
CID 135194363
2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 91909937
(6S)-6-(dimethylamino)-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenyl-1,3-diazonan-2-one
CID 130251739
1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
CID 10063941

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one (CID 24756264) is (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one is COc1ccc(CN2CC[C@](C(=O)[C@@]3(c4ccccc4)CCN(Cc4ccc(OC)cc4)C3=O)(c3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one?
The InChIKey is KYADDSWVYSMSJJ-JXLNJXQWSA-N. The full InChI is InChI=1S/C37H36N2O5/c1-43-31-17-13-27(14-18-31)25-38-23-21-36(34(38)41,29-9-5-3-6-10-29)33(40)37(30-11-7-4-8-12-30)22-24-39(35(37)42)26-28-15-19-32(44-2)20-16-28/h3-20H,21-26H2,1-2H3/t36-,37+.
What are the key properties of (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one?
(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one has a molecular weight of 588.70 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 24756264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).