1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide

C24H29N3O2 — CID 55676988

IUPAC1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccccc3CN3CCCC3)CC2=O)c1C
InChIInChI=1S/C24H29N3O2/c1-17-8-7-11-22(18(17)2)27-16-20(14-23(27)28)24(29)25-21-10-4-3-9-19(21)15-26-12-5-6-13-26/h3-4,7-11,20H,5-6,12-16H2,1-2H3,(H,25,29)
InChIKeyUBUIDILHIWFKFY-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.89
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55676988) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55676988
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccccc3CN3CCCC3)CC2=O)c1C
InChIInChI=1S/C24H29N3O2/c1-17-8-7-11-22(18(17)2)27-16-20(14-23(27)28)24(29)25-21-10-4-3-9-19(21)15-26-12-5-6-13-26/h3-4,7-11,20H,5-6,12-16H2,1-2H3,(H,25,29)
InChIKeyUBUIDILHIWFKFY-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
1-(2,3-dimethylphenyl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55642807
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056272
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
(3R)-N-(2,3-dimethylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2599596
(3S)-N-(2,4-dibromophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529075
(3R)-N-(5-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51532988
(3R)-N-(2,4-dichlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1332768

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide (CID 55676988) is 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3ccccc3CN3CCCC3)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UBUIDILHIWFKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-8-7-11-22(18(17)2)27-16-20(14-23(27)28)24(29)25-21-10-4-3-9-19(21)15-26-12-5-6-13-26/h3-4,7-11,20H,5-6,12-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55676988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).