N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C17H24N2O2 — CID 3237270

IUPACN-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-13(3)18-17(21)15-9-10-16(20)19(15)11-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyQIOQITZOTWFCGE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.40
Rot. Bonds5

About N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3237270) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3237270
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-13(3)18-17(21)15-9-10-16(20)19(15)11-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyQIOQITZOTWFCGE-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 3237270) is N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCC(C)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QIOQITZOTWFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-13(3)18-17(21)15-9-10-16(20)19(15)11-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3237270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).