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

C23H26N4O4 — CID 17120224

IUPAC1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1
InChIInChI=1S/C23H26N4O4/c1-14(2)24-23(31)19-6-4-5-7-20(19)26-22(30)16-12-21(29)27(13-16)18-10-8-17(9-11-18)25-15(3)28/h4-11,14,16H,12-13H2,1-3H3,(H,24,31)(H,25,28)(H,26,30)
InChIKeyUZYJNNARMPZUNH-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.77
Rot. Bonds6

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

1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17120224) 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-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17120224
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1
InChIInChI=1S/C23H26N4O4/c1-14(2)24-23(31)19-6-4-5-7-20(19)26-22(30)16-12-21(29)27(13-16)18-10-8-17(9-11-18)25-15(3)28/h4-11,14,16H,12-13H2,1-3H3,(H,24,31)(H,25,28)(H,26,30)
InChIKeyUZYJNNARMPZUNH-UHFFFAOYSA-N
XLogP2.77
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17120097
1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120257
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
1-(4-bromo-3-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55673120
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 29449322
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262
(3R)-5-oxo-1-(4-propan-2-yloxyphenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 7230487
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56727589

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 17120224) is 1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UZYJNNARMPZUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14(2)24-23(31)19-6-4-5-7-20(19)26-22(30)16-12-21(29)27(13-16)18-10-8-17(9-11-18)25-15(3)28/h4-11,14,16H,12-13H2,1-3H3,(H,24,31)(H,25,28)(H,26,30).
What are the key properties of 1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.77, 6 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-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17120224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).