1-[3-(2-methylprop-2-enylamino)phenyl]ethanone

C12H15NO — CID 82096283

IUPAC1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
SMILESC=C(C)CNc1cccc(C(C)=O)c1
InChIInChI=1S/C12H15NO/c1-9(2)8-13-12-6-4-5-11(7-12)10(3)14/h4-7,13H,1,8H2,2-3H3
InChIKeyKGXWFMRJKMKKCI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.88
Rot. Bonds4

About 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone

1-[3-(2-methylprop-2-enylamino)phenyl]ethanone (PubChem CID 82096283) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
PubChem CID82096283
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
SMILESC=C(C)CNc1cccc(C(C)=O)c1
InChIInChI=1S/C12H15NO/c1-9(2)8-13-12-6-4-5-11(7-12)10(3)14/h4-7,13H,1,8H2,2-3H3
InChIKeyKGXWFMRJKMKKCI-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone 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-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
CID 32897161
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465
1-[3-(2-fluoropropylamino)phenyl]ethanone
CID 84666212
2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9084577
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
4-(3-acetylanilino)-2-methylidene-4-oxobutanoic acid
CID 102132384
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-acetylphenyl)propanamide
CID 903063
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone (CID 82096283) is 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone is C=C(C)CNc1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone?
The InChIKey is KGXWFMRJKMKKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)8-13-12-6-4-5-11(7-12)10(3)14/h4-7,13H,1,8H2,2-3H3.
What are the key properties of 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone?
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylprop-2-enylamino)phenyl]ethanone is sourced from PubChem (CID 82096283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).