N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C22H24N4O4 — CID 56727589

IUPACN-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H24N4O4/c1-14(21(29)25-18-10-8-17(9-11-18)24-15(2)27)23-22(30)16-12-20(28)26(13-16)19-6-4-3-5-7-19/h3-11,14,16H,12-13H2,1-2H3,(H,23,30)(H,24,27)(H,25,29)
InChIKeyIQNUERZJZIBGNV-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.14
Rot. Bonds6

About N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 56727589) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID56727589
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H24N4O4/c1-14(21(29)25-18-10-8-17(9-11-18)24-15(2)27)23-22(30)16-12-20(28)26(13-16)19-6-4-3-5-7-19/h3-11,14,16H,12-13H2,1-2H3,(H,23,30)(H,24,27)(H,25,29)
InChIKeyIQNUERZJZIBGNV-UHFFFAOYSA-N
XLogP2.14
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7553377
(3S)-N-[(2S)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39348185
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3S)-N-[(2S)-1-(cyclopropylamino)-3-methyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39312213
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
(3R)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94797170

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 56727589) is N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is IQNUERZJZIBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(21(29)25-18-10-8-17(9-11-18)24-15(2)27)23-22(30)16-12-20(28)26(13-16)19-6-4-3-5-7-19/h3-11,14,16H,12-13H2,1-2H3,(H,23,30)(H,24,27)(H,25,29).
What are the key properties of N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56727589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).