(E)-2-ethyl-4-(3-methylphenyl)but-2-enamide

C13H17NO — CID 175355339

IUPAC(E)-2-ethyl-4-(3-methylphenyl)but-2-enamide
SMILESCC/C(=C\Cc1cccc(C)c1)C(N)=O
InChIInChI=1S/C13H17NO/c1-3-12(13(14)15)8-7-11-6-4-5-10(2)9-11/h4-6,8-9H,3,7H2,1-2H3,(H2,14,15)/b12-8+
InChIKeyZDOYLVLCGHFOKP-XYOKQWHBSA-N
MW203.28 g/mol
LogP2.36
Rot. Bonds4

About (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide

(E)-2-ethyl-4-(3-methylphenyl)but-2-enamide (PubChem CID 175355339) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-4-(3-methylphenyl)but-2-enamide
PubChem CID175355339
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-2-ethyl-4-(3-methylphenyl)but-2-enamide
SMILESCC/C(=C\Cc1cccc(C)c1)C(N)=O
InChIInChI=1S/C13H17NO/c1-3-12(13(14)15)8-7-11-6-4-5-10(2)9-11/h4-6,8-9H,3,7H2,1-2H3,(H2,14,15)/b12-8+
InChIKeyZDOYLVLCGHFOKP-XYOKQWHBSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-ethyl-4-(3-methylphenyl)but-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

ethyl 2-fluoro-4-(3-methylphenyl)but-2-enoate
CID 66983006
(3-methylphenyl)methylurea
CID 60776531
ethyl (E)-5-(3-methylphenyl)pent-2-enoate
CID 140750372
3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one
CID 116592724
1-ethyl-3-methylbenzene;methanamine
CID 167447790
1-[(Z)-hex-2-enyl]-3-methylbenzene
CID 101190405
1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene
CID 123209273
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
(2R)-2-amino-2-methyl-3-(3-methylphenyl)propanamide
CID 101024424
3-ethyl-5-[(3-methylphenyl)methyl]benzamide
CID 175279696
1-ethyl-3-methylbenzene;isocyanic acid
CID 88779668

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide?
The IUPAC name of (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide (CID 175355339) is (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide.
What is the SMILES notation for (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide?
The canonical SMILES for (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide is CC/C(=C\Cc1cccc(C)c1)C(N)=O.
What is the InChIKey of (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide?
The InChIKey is ZDOYLVLCGHFOKP-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-12(13(14)15)8-7-11-6-4-5-10(2)9-11/h4-6,8-9H,3,7H2,1-2H3,(H2,14,15)/b12-8+.
What are the key properties of (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide?
(E)-2-ethyl-4-(3-methylphenyl)but-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-4-(3-methylphenyl)but-2-enamide is sourced from PubChem (CID 175355339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).