N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide

C25H32N2O2 — CID 42703090

IUPACN-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-2-3-5-10-20-13-15-22(16-14-20)24(28)26-23(19-21-11-6-4-7-12-21)25(29)27-17-8-9-18-27/h4,6-7,11-16,23H,2-3,5,8-10,17-19H2,1H3,(H,26,28)
InChIKeyNJTSPVVWEDHKMU-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.38
Rot. Bonds9

About N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide

N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide (PubChem CID 42703090) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
PubChem CID42703090
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-2-3-5-10-20-13-15-22(16-14-20)24(28)26-23(19-21-11-6-4-7-12-21)25(29)27-17-8-9-18-27/h4,6-7,11-16,23H,2-3,5,8-10,17-19H2,1H3,(H,26,28)
InChIKeyNJTSPVVWEDHKMU-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide
CID 5170853
5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 60611406
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
CID 14500780
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide?
The IUPAC name of N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide (CID 42703090) is N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide.
What is the SMILES notation for N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide?
The canonical SMILES for N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide is CCCCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide?
The InChIKey is NJTSPVVWEDHKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-3-5-10-20-13-15-22(16-14-20)24(28)26-23(19-21-11-6-4-7-12-21)25(29)27-17-8-9-18-27/h4,6-7,11-16,23H,2-3,5,8-10,17-19H2,1H3,(H,26,28).
What are the key properties of N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide?
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide has a molecular weight of 392.54 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide is sourced from PubChem (CID 42703090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).