1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C23H27N3O3 — CID 17082457

IUPAC1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C23H27N3O3/c1-4-11-24-23(29)19-7-5-6-8-20(19)25-22(28)17-13-21(27)26(14-17)18-10-9-15(2)16(3)12-18/h5-10,12,17H,4,11,13-14H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyOGRWWQGOSNKKKJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.43
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17082457) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17082457
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C23H27N3O3/c1-4-11-24-23(29)19-7-5-6-8-20(19)25-22(28)17-13-21(27)26(14-17)18-10-9-15(2)16(3)12-18/h5-10,12,17H,4,11,13-14H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyOGRWWQGOSNKKKJ-UHFFFAOYSA-N
XLogP3.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-bromophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34751808
1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120257
ethyl 2-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40655624
N-(2-carbamoylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082354
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34749282
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792
(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822791
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
1-(3,4-dimethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2948276
N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151943
(3S)-N-(2-cyanophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393260
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 17082457) is 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is OGRWWQGOSNKKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-11-24-23(29)19-7-5-6-8-20(19)25-22(28)17-13-21(27)26(14-17)18-10-9-15(2)16(3)12-18/h5-10,12,17H,4,11,13-14H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17082457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).