2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

C15H22N2O — CID 50747128

IUPAC2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCCN2C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)16-15(18)17-10-4-5-14(17)13-8-6-12(3)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyITFUYCMZYZDLSX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 50747128) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID50747128
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCCN2C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)16-15(18)17-10-4-5-14(17)13-8-6-12(3)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyITFUYCMZYZDLSX-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.25
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-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 50747128) is 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is Cc1ccc(C2CCCN2C(=O)NC(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is ITFUYCMZYZDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)16-15(18)17-10-4-5-14(17)13-8-6-12(3)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 50747128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).