N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide

C14H18N2O2 — CID 930524

IUPACN-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C14H18N2O2/c1-11(17)12-4-6-13(7-5-12)15-14(18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyBTFSIMIIDGGVRU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds4

About N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide

N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 930524) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID930524
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C14H18N2O2/c1-11(17)12-4-6-13(7-5-12)15-14(18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyBTFSIMIIDGGVRU-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide 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 N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide (CID 930524) is N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide is CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is BTFSIMIIDGGVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(17)12-4-6-13(7-5-12)15-14(18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 930524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).