ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline

C24H30N2O3 — CID 169183134

IUPACethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline
SMILESC=C/C=C(\C=C)C(=O)NCC=O.CC.CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H13NO.C9H11NO2.C2H6/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11;1-3-5-8(4-2)9(12)10-6-7-11;1-2/h2-10,14H,1H3;3-5,7H,1-2,6H2,(H,10,12);1-2H3/b;8-5+;
InChIKeySBZUSPXPGOEJAW-UKXMSUEASA-N
MW394.52 g/mol
LogP5.15
Rot. Bonds8

About ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline

ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline (PubChem CID 169183134) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline
PubChem CID169183134
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Nameethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline
SMILESC=C/C=C(\C=C)C(=O)NCC=O.CC.CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H13NO.C9H11NO2.C2H6/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11;1-3-5-8(4-2)9(12)10-6-7-11;1-2/h2-10,14H,1H3;3-5,7H,1-2,6H2,(H,10,12);1-2H3/b;8-5+;
InChIKeySBZUSPXPGOEJAW-UKXMSUEASA-N
XLogP5.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline 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-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
CID 176939045
N-methyl-2-phenoxyaniline
CID 22961955
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylaniline
CID 142908108
ethane;2-[2-(methylamino)phenoxy]acetaldehyde
CID 142381629
3-(2-phenoxyanilino)-N-propylpropanamide
CID 109011455
2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide
CID 143297139
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline?
The IUPAC name of ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline (CID 169183134) is ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline?
The canonical SMILES for ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline is C=C/C=C(\C=C)C(=O)NCC=O.CC.CNc1ccccc1Oc1ccccc1.
What is the InChIKey of ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline?
The InChIKey is SBZUSPXPGOEJAW-UKXMSUEASA-N. The full InChI is InChI=1S/C13H13NO.C9H11NO2.C2H6/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11;1-3-5-8(4-2)9(12)10-6-7-11;1-2/h2-10,14H,1H3;3-5,7H,1-2,6H2,(H,10,12);1-2H3/b;8-5+;.
What are the key properties of ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline?
ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline has a molecular weight of 394.52 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenyl-N-(2-oxoethyl)penta-2,4-dienamide;N-methyl-2-phenoxyaniline is sourced from PubChem (CID 169183134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).