2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide

C15H22N2O — CID 1480272

IUPAC2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)14(18)16-12-6-8-13(9-7-12)17-10-4-5-11-17/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyCPKIBIQUFHPXTO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.27
Rot. Bonds2

About 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide

2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 1480272) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID1480272
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)14(18)16-12-6-8-13(9-7-12)17-10-4-5-11-17/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyCPKIBIQUFHPXTO-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 1480272) is 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is CPKIBIQUFHPXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)14(18)16-12-6-8-13(9-7-12)17-10-4-5-11-17/h6-9H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 1480272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).