4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C24H26N2O3 — CID 110607693

IUPAC4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCc1ccc(C)c(C(=O)C2CCCN2C(=O)C2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C24H26N2O3/c1-16-10-11-17(2)20(13-16)23(28)21-9-6-12-25(21)24(29)18-14-22(27)26(15-18)19-7-4-3-5-8-19/h3-5,7-8,10-11,13,18,21H,6,9,12,14-15H2,1-2H3
InChIKeyVHSGHGFAINSKDV-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.53
Rot. Bonds4

About 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 110607693) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID110607693
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCc1ccc(C)c(C(=O)C2CCCN2C(=O)C2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C24H26N2O3/c1-16-10-11-17(2)20(13-16)23(28)21-9-6-12-25(21)24(29)18-14-22(27)26(15-18)19-7-4-3-5-8-19/h3-5,7-8,10-11,13,18,21H,6,9,12,14-15H2,1-2H3
InChIKeyVHSGHGFAINSKDV-UHFFFAOYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
(2S)-1-[(3R)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120077
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95352964
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(2S)-1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366202
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 119437039
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 110607693) is 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one is Cc1ccc(C)c(C(=O)C2CCCN2C(=O)C2CC(=O)N(c3ccccc3)C2)c1.
What is the InChIKey of 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is VHSGHGFAINSKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-10-11-17(2)20(13-16)23(28)21-9-6-12-25(21)24(29)18-14-22(27)26(15-18)19-7-4-3-5-8-19/h3-5,7-8,10-11,13,18,21H,6,9,12,14-15H2,1-2H3.
What are the key properties of 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylbenzoyl)pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 110607693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).