(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide

C15H17NO — CID 177358783

IUPAC(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide
SMILESC=C/C=C(\C(=C)C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H17NO/c1-5-7-14(11(2)3)15(17)16-13-9-6-8-12(4)10-13/h5-10H,1-2H2,3-4H3,(H,16,17)/b14-7+
InChIKeyULHZKXJTJWFKDL-VGOFMYFVSA-N
MW227.31 g/mol
LogP3.62
Rot. Bonds4

About (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide

(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide (PubChem CID 177358783) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide
PubChem CID177358783
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide
SMILESC=C/C=C(\C(=C)C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H17NO/c1-5-7-14(11(2)3)15(17)16-13-9-6-8-12(4)10-13/h5-10H,1-2H2,3-4H3,(H,16,17)/b14-7+
InChIKeyULHZKXJTJWFKDL-VGOFMYFVSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
N-(3-methylphenyl)acetamide
CID 10843
2-benzylidene-N-(3-methylphenyl)-3-oxobutanamide
CID 78119677
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide
CID 143322990
(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide
CID 177358769
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
(E)-2-bromo-4-imino-3-methyl-N-(3-methylphenyl)but-2-enamide
CID 143713446
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide (CID 177358783) is (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide is C=C/C=C(\C(=C)C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide?
The InChIKey is ULHZKXJTJWFKDL-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H17NO/c1-5-7-14(11(2)3)15(17)16-13-9-6-8-12(4)10-13/h5-10H,1-2H2,3-4H3,(H,16,17)/b14-7+.
What are the key properties of (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide?
(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide has a molecular weight of 227.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 177358783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).