N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide

C17H24N2O — CID 145270243

IUPACN-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESC=C(C)Cc1ccc(CNC(=O)CN2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-14(2)11-15-5-7-16(8-6-15)12-18-17(20)13-19-9-3-4-10-19/h5-8H,1,3-4,9-13H2,2H3,(H,18,20)
InChIKeyAMFCPLDGRHCUDY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.52
Rot. Bonds6

About N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide

N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 145270243) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID145270243
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESC=C(C)Cc1ccc(CNC(=O)CN2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-14(2)11-15-5-7-16(8-6-15)12-18-17(20)13-19-9-3-4-10-19/h5-8H,1,3-4,9-13H2,2H3,(H,18,20)
InChIKeyAMFCPLDGRHCUDY-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-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

Related Compounds

Remacemide
CID 60511
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
N,N'-Dibenzyloxamide
CID 219253
(2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine-2-carbonitrile
CID 11076103
Smac peptido-mimetic 1
CID 11200722
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-methyl-1-phenylethyl)propionamide
CID 11702902
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide (CID 145270243) is N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide is C=C(C)Cc1ccc(CNC(=O)CN2CCCC2)cc1.
What is the InChIKey of N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is AMFCPLDGRHCUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(2)11-15-5-7-16(8-6-15)12-18-17(20)13-19-9-3-4-10-19/h5-8H,1,3-4,9-13H2,2H3,(H,18,20).
What are the key properties of N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide?
N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 272.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylprop-2-enyl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 145270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).