(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide

C16H23NO2 — CID 86950140

IUPAC(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/C(C)(C)C)cc1C
InChIInChI=1S/C16H23NO2/c1-6-19-14-8-7-13(11-12(14)2)17-15(18)9-10-16(3,4)5/h7-11H,6H2,1-5H3,(H,17,18)/b10-9+
InChIKeyZAOKXIUUHFYZCF-MDZDMXLPSA-N
MW261.37 g/mol
LogP3.93
Rot. Bonds4

About (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide

(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide (PubChem CID 86950140) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
PubChem CID86950140
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/C(C)(C)C)cc1C
InChIInChI=1S/C16H23NO2/c1-6-19-14-8-7-13(11-12(14)2)17-15(18)9-10-16(3,4)5/h7-11H,6H2,1-5H3,(H,17,18)/b10-9+
InChIKeyZAOKXIUUHFYZCF-MDZDMXLPSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-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

2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide
CID 155301792
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120649

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide (CID 86950140) is (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide is CCOc1ccc(NC(=O)/C=C/C(C)(C)C)cc1C.
What is the InChIKey of (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide?
The InChIKey is ZAOKXIUUHFYZCF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-19-14-8-7-13(11-12(14)2)17-15(18)9-10-16(3,4)5/h7-11H,6H2,1-5H3,(H,17,18)/b10-9+.
What are the key properties of (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide?
(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 86950140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).