1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

C18H26N2O2 — CID 17152012

IUPAC1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2C)C1
InChIInChI=1S/C18H26N2O2/c1-4-5-6-9-19-18(22)15-11-17(21)20(12-15)16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)
InChIKeyDKDXCBXZKVAFFA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (PubChem CID 17152012) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
PubChem CID17152012
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2C)C1
InChIInChI=1S/C18H26N2O2/c1-4-5-6-9-19-18(22)15-11-17(21)20(12-15)16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)
InChIKeyDKDXCBXZKVAFFA-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.96
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-(3-chloropropyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152061
(3R)-1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 26615651
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-[2-(3-chlorophenyl)ethyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186056
1-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17151802
1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191072
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
(3R)-1-(2,5-dimethoxyphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9394742
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(2-fluoro-4-methylphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751672
ethyl (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075680

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (CID 17152012) is 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is CCCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2C)C1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is DKDXCBXZKVAFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-5-6-9-19-18(22)15-11-17(21)20(12-15)16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22).
What are the key properties of 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17152012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).