N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H29N3O3 — CID 17151943

IUPACN-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2cc(C)ccc2C)C1
InChIInChI=1S/C24H29N3O3/c1-4-5-12-25-24(30)19-8-6-7-9-20(19)26-23(29)18-14-22(28)27(15-18)21-13-16(2)10-11-17(21)3/h6-11,13,18H,4-5,12,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyJTYOQPSXPCBMDY-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.82
Rot. Bonds7

About N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17151943) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17151943
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2cc(C)ccc2C)C1
InChIInChI=1S/C24H29N3O3/c1-4-5-12-25-24(30)19-8-6-7-9-20(19)26-23(29)18-14-22(28)27(15-18)21-13-16(2)10-11-17(21)3/h6-11,13,18H,4-5,12,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyJTYOQPSXPCBMDY-UHFFFAOYSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17082457
N-(2-bromophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151862
1-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160103
butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108788303
1-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17151802
(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
1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 17152012
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55607434

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17151943) is N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2cc(C)ccc2C)C1.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JTYOQPSXPCBMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-5-12-25-24(30)19-8-6-7-9-20(19)26-23(29)18-14-22(28)27(15-18)21-13-16(2)10-11-17(21)3/h6-11,13,18H,4-5,12,14-15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17151943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).