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

C23H26N4O4 — CID 17120257

IUPAC1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C23H26N4O4/c1-3-12-24-23(31)19-6-4-5-7-20(19)26-22(30)16-13-21(29)27(14-16)18-10-8-17(9-11-18)25-15(2)28/h4-11,16H,3,12-14H2,1-2H3,(H,24,31)(H,25,28)(H,26,30)
InChIKeyQPKFNVPEIPKGPL-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.78
Rot. Bonds7

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

1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17120257) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17120257
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C23H26N4O4/c1-3-12-24-23(31)19-6-4-5-7-20(19)26-22(30)16-13-21(29)27(14-16)18-10-8-17(9-11-18)25-15(2)28/h4-11,16H,3,12-14H2,1-2H3,(H,24,31)(H,25,28)(H,26,30)
InChIKeyQPKFNVPEIPKGPL-UHFFFAOYSA-N
XLogP2.78
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-bromophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34751808
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34749282
1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17082457
(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
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17120097
(3S)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715031
(3R)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715027
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2955877

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 17120257) is 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QPKFNVPEIPKGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-12-24-23(31)19-6-4-5-7-20(19)26-22(30)16-13-21(29)27(14-16)18-10-8-17(9-11-18)25-15(2)28/h4-11,16H,3,12-14H2,1-2H3,(H,24,31)(H,25,28)(H,26,30).
What are the key properties of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17120257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).