5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide

C25H32N2O2 — CID 60611406

IUPAC5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)NC(Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-20-13-15-21(16-14-20)9-5-6-12-24(28)26-23(19-22-10-3-2-4-11-22)25(29)27-17-7-8-18-27/h2-4,10-11,13-16,23H,5-9,12,17-19H2,1H3,(H,26,28)
InChIKeyWTFRJSUJQMYTCP-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.06
Rot. Bonds9

About 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide

5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide (PubChem CID 60611406) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
PubChem CID60611406
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)NC(Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-20-13-15-21(16-14-20)9-5-6-12-24(28)26-23(19-22-10-3-2-4-11-22)25(29)27-17-7-8-18-27/h2-4,10-11,13-16,23H,5-9,12,17-19H2,1H3,(H,26,28)
InChIKeyWTFRJSUJQMYTCP-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
CID 42703090
(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
CID 14500780
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 95288338
3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 120610126
(2R)-2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119367532
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 3951610

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
The IUPAC name of 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide (CID 60611406) is 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide is Cc1ccc(CCCCC(=O)NC(Cc2ccccc2)C(=O)N2CCCC2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
The InChIKey is WTFRJSUJQMYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20-13-15-21(16-14-20)9-5-6-12-24(28)26-23(19-22-10-3-2-4-11-22)25(29)27-17-7-8-18-27/h2-4,10-11,13-16,23H,5-9,12,17-19H2,1H3,(H,26,28).
What are the key properties of 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide?
5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide has a molecular weight of 392.54 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 60611406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).