1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide

C20H30N2O2 — CID 108793622

IUPAC1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C20H30N2O2/c1-3-4-5-6-7-8-13-21-20(24)17-14-19(23)22(15-17)18-11-9-16(2)10-12-18/h9-12,17H,3-8,13-15H2,1-2H3,(H,21,24)
InChIKeyXJSPIVOVOPCRDV-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.82
Rot. Bonds9

About 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 108793622) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
PubChem CID108793622
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C20H30N2O2/c1-3-4-5-6-7-8-13-21-20(24)17-14-19(23)22(15-17)18-11-9-16(2)10-12-18/h9-12,17H,3-8,13-15H2,1-2H3,(H,21,24)
InChIKeyXJSPIVOVOPCRDV-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.82
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

1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 17152012
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134029726
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
1-(1,3-benzodioxol-5-yl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 84503542
N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189917
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide (CID 108793622) is 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide is CCCCCCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XJSPIVOVOPCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-4-5-6-7-8-13-21-20(24)17-14-19(23)22(15-17)18-11-9-16(2)10-12-18/h9-12,17H,3-8,13-15H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108793622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).