4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide

C25H32N4O4 — CID 59697900

IUPAC4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCCCN3CCCC3=O)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-2-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(31)26-15-18-29(33)25(32)27-14-4-17-28-16-3-5-23(28)30/h6-13,33H,2-5,14-18H2,1H3,(H,26,31)(H,27,32)
InChIKeyIGQJHYITSBDBEQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.06
Rot. Bonds10

About 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide

4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide (PubChem CID 59697900) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
PubChem CID59697900
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCCCN3CCCC3=O)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-2-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(31)26-15-18-29(33)25(32)27-14-4-17-28-16-3-5-23(28)30/h6-13,33H,2-5,14-18H2,1H3,(H,26,31)(H,27,32)
InChIKeyIGQJHYITSBDBEQ-UHFFFAOYSA-N
XLogP3.06
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
N-butyl-4-[[[ethylamino-[3-(2-oxopyrrolidin-1-yl)propylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111146950
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50815808
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 122562091
N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide
CID 58343315
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 134046699
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide (CID 59697900) is 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide is CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCCCN3CCCC3=O)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide?
The InChIKey is IGQJHYITSBDBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-2-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(31)26-15-18-29(33)25(32)27-14-4-17-28-16-3-5-23(28)30/h6-13,33H,2-5,14-18H2,1H3,(H,26,31)(H,27,32).
What are the key properties of 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide?
4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 3.06, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide is sourced from PubChem (CID 59697900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).