2-anilino-N-cyclopentyl-N-prop-2-enylacetamide

C16H22N2O — CID 54872346

IUPAC2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CNc1ccccc1)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-12-18(15-10-6-7-11-15)16(19)13-17-14-8-4-3-5-9-14/h2-5,8-9,15,17H,1,6-7,10-13H2
InChIKeyPNJZNENCOVJJAC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds6

About 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide

2-anilino-N-cyclopentyl-N-prop-2-enylacetamide (PubChem CID 54872346) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
PubChem CID54872346
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CNc1ccccc1)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-12-18(15-10-6-7-11-15)16(19)13-17-14-8-4-3-5-9-14/h2-5,8-9,15,17H,1,6-7,10-13H2
InChIKeyPNJZNENCOVJJAC-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide 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-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729649
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
CID 119703213
2-anilino-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 60938792
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
N-cyclohexyl-2-[(4-nitrophenyl)carbamoylamino]-N-prop-2-enylacetamide
CID 135072785
3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide
CID 62877146
2-anilino-1-cyclobutylethanone
CID 116555468
3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide
CID 54872939
2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
CID 119704430
N-cyclopentyl-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 51093124
2-(3-aminopyrazol-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
CID 55035971

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide?
The IUPAC name of 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide (CID 54872346) is 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide is C=CCN(C(=O)CNc1ccccc1)C1CCCC1.
What is the InChIKey of 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide?
The InChIKey is PNJZNENCOVJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-12-18(15-10-6-7-11-15)16(19)13-17-14-8-4-3-5-9-14/h2-5,8-9,15,17H,1,6-7,10-13H2.
What are the key properties of 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide?
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide has a molecular weight of 258.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-cyclopentyl-N-prop-2-enylacetamide is sourced from PubChem (CID 54872346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).