(E)-N-(2-aminophenyl)-4-methylpent-2-enamide

C12H16N2O — CID 59715941

IUPAC(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1ccccc1N
InChIInChI=1S/C12H16N2O/c1-9(2)7-8-12(15)14-11-6-4-3-5-10(11)13/h3-9H,13H2,1-2H3,(H,14,15)/b8-7+
InChIKeyNGSGFJHAWYCODE-BQYQJAHWSA-N
MW204.27 g/mol
LogP2.42
Rot. Bonds3

About (E)-N-(2-aminophenyl)-4-methylpent-2-enamide

(E)-N-(2-aminophenyl)-4-methylpent-2-enamide (PubChem CID 59715941) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
PubChem CID59715941
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1ccccc1N
InChIInChI=1S/C12H16N2O/c1-9(2)7-8-12(15)14-11-6-4-3-5-10(11)13/h3-9H,13H2,1-2H3,(H,14,15)/b8-7+
InChIKeyNGSGFJHAWYCODE-BQYQJAHWSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-aminophenyl)-4-methylpent-2-enamide 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

N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934341
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
N-(2-aminophenyl)acetamide;2-methanidylpropane;vanadium(2+)
CID 153457478
N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015249
[(E,1R,2R)-5-(2-aminoanilino)-1-(4-hydroxyphenyl)-2-methyl-5-oxopent-3-enyl] N-(4-bromophenyl)carbamate
CID 23920822
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
[(E,1R,2S)-5-(2-aminoanilino)-1-(3,5-dibromo-2-hydroxyphenyl)-2-methyl-5-oxopent-3-enyl] N-phenylcarbamate
CID 23836437

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-4-methylpent-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-4-methylpent-2-enamide (CID 59715941) is (E)-N-(2-aminophenyl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-4-methylpent-2-enamide is CC(C)/C=C/C(=O)Nc1ccccc1N.
What is the InChIKey of (E)-N-(2-aminophenyl)-4-methylpent-2-enamide?
The InChIKey is NGSGFJHAWYCODE-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)7-8-12(15)14-11-6-4-3-5-10(11)13/h3-9H,13H2,1-2H3,(H,14,15)/b8-7+.
What are the key properties of (E)-N-(2-aminophenyl)-4-methylpent-2-enamide?
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide has a molecular weight of 204.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-4-methylpent-2-enamide is sourced from PubChem (CID 59715941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).