(2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide

C14H15NO3 — CID 163743441

IUPAC(2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide
SMILESCC(=O)c1cccc(NC(=O)/C(C)=C/C=C\O)c1
InChIInChI=1S/C14H15NO3/c1-10(5-4-8-16)14(18)15-13-7-3-6-12(9-13)11(2)17/h3-9,16H,1-2H3,(H,15,18)/b8-4-,10-5+
InChIKeyLJTGXBRQFHLJGK-HZEUFOEUSA-N
MW245.28 g/mol
LogP2.85
Rot. Bonds4

About (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide

(2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide (PubChem CID 163743441) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide
PubChem CID163743441
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide
SMILESCC(=O)c1cccc(NC(=O)/C(C)=C/C=C\O)c1
InChIInChI=1S/C14H15NO3/c1-10(5-4-8-16)14(18)15-13-7-3-6-12(9-13)11(2)17/h3-9,16H,1-2H3,(H,15,18)/b8-4-,10-5+
InChIKeyLJTGXBRQFHLJGK-HZEUFOEUSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 108515059
N-(3-acetylphenyl)propanamide
CID 903063
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CID 108515070
methyl 3-[[2-(4-acetylanilino)-2-oxoacetyl]amino]benzoate
CID 108987464
4-[[(Z)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108856838
N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
CID 108514915
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
(2E,4E)-N-(3-aminophenyl)-5-chloro-2-methylhexa-2,4-dienamide
CID 130413317
N-(3-acetylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509256
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024
N'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide (CID 163743441) is (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide is CC(=O)c1cccc(NC(=O)/C(C)=C/C=C\O)c1.
What is the InChIKey of (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide?
The InChIKey is LJTGXBRQFHLJGK-HZEUFOEUSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(5-4-8-16)14(18)15-13-7-3-6-12(9-13)11(2)17/h3-9,16H,1-2H3,(H,15,18)/b8-4-,10-5+.
What are the key properties of (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide?
(2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide has a molecular weight of 245.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(3-acetylphenyl)-5-hydroxy-2-methylpenta-2,4-dienamide is sourced from PubChem (CID 163743441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).