N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide

C15H22N2O — CID 58770019

IUPACN-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1ccc(NC(=O)CC2CCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)13-3-5-14(6-4-13)17-15(18)9-12-7-8-16-10-12/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyPMPYLPYIOKWVQW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide

N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 58770019) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID58770019
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1ccc(NC(=O)CC2CCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)13-3-5-14(6-4-13)17-15(18)9-12-7-8-16-10-12/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyPMPYLPYIOKWVQW-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide (CID 58770019) is N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide is CC(C)c1ccc(NC(=O)CC2CCNC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is PMPYLPYIOKWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)13-3-5-14(6-4-13)17-15(18)9-12-7-8-16-10-12/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 58770019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).