1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H24N2O2 — CID 4283575

IUPAC1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-3-4-9-19-12-15(10-16(19)20)17(21)18-11-14-7-5-13(2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyDQDQEFNNBMLYSY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds6

About 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4283575) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4283575
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-3-4-9-19-12-15(10-16(19)20)17(21)18-11-14-7-5-13(2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyDQDQEFNNBMLYSY-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4283575) is 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O.
What is the InChIKey of 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DQDQEFNNBMLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-9-19-12-15(10-16(19)20)17(21)18-11-14-7-5-13(2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,21).
What are the key properties of 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4283575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).