1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C23H26N2O4 — CID 46557998

IUPAC1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C23H26N2O4/c1-28-19-8-3-6-16(12-19)21-10-5-11-24(21)23(27)17-13-22(26)25(15-17)18-7-4-9-20(14-18)29-2/h3-4,6-9,12,14,17,21H,5,10-11,13,15H2,1-2H3
InChIKeyTTWOJYGAEHKPED-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46557998) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID46557998
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C23H26N2O4/c1-28-19-8-3-6-16(12-19)21-10-5-11-24(21)23(27)17-13-22(26)25(15-17)18-7-4-9-20(14-18)29-2/h3-4,6-9,12,14,17,21H,5,10-11,13,15H2,1-2H3
InChIKeyTTWOJYGAEHKPED-UHFFFAOYSA-N
XLogP3.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957927
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 92597743
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95352964
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957915
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
CID 90608508
4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90564590
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
1-(3-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329174

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 46557998) is 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1cccc(C2CCCN2C(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is TTWOJYGAEHKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-28-19-8-3-6-16(12-19)21-10-5-11-24(21)23(27)17-13-22(26)25(15-17)18-7-4-9-20(14-18)29-2/h3-4,6-9,12,14,17,21H,5,10-11,13,15H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 394.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46557998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).