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2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C16H24N2O — CID 53207718

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCCN2C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)11-17-16(19)18-10-4-5-15(18)14-8-6-13(3)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyHEPLSXSIWMCIJU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.50
Rot. Bonds3

About 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 53207718) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID53207718
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCCN2C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)11-17-16(19)18-10-4-5-15(18)14-8-6-13(3)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyHEPLSXSIWMCIJU-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 53207718) is 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is Cc1ccc(C2CCCN2C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is HEPLSXSIWMCIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)11-17-16(19)18-10-4-5-15(18)14-8-6-13(3)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53207718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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