(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide

C18H17NO — CID 56640990

IUPAC(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide
SMILESCc1cccc(NC(=O)/C=C/C=C/c2ccccc2)c1
InChIInChI=1S/C18H17NO/c1-15-8-7-12-17(14-15)19-18(20)13-6-5-11-16-9-3-2-4-10-16/h2-14H,1H3,(H,19,20)/b11-5+,13-6+
InChIKeyUPCJINNFXRDYFH-LRPJOWSMSA-N
MW263.34 g/mol
LogP4.20
Rot. Bonds4

About (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide

(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide (PubChem CID 56640990) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide
PubChem CID56640990
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide
SMILESCc1cccc(NC(=O)/C=C/C=C/c2ccccc2)c1
InChIInChI=1S/C18H17NO/c1-15-8-7-12-17(14-15)19-18(20)13-6-5-11-16-9-3-2-4-10-16/h2-14H,1H3,(H,19,20)/b11-5+,13-6+
InChIKeyUPCJINNFXRDYFH-LRPJOWSMSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.20
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

(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
2-benzylidene-N-(3-methylphenyl)-3-oxobutanamide
CID 78119677
N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(2E,4E)-5-(4-hydroxyphenyl)-N-(4-methylphenyl)penta-2,4-dienamide
CID 10492944

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide (CID 56640990) is (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide is Cc1cccc(NC(=O)/C=C/C=C/c2ccccc2)c1.
What is the InChIKey of (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide?
The InChIKey is UPCJINNFXRDYFH-LRPJOWSMSA-N. The full InChI is InChI=1S/C18H17NO/c1-15-8-7-12-17(14-15)19-18(20)13-6-5-11-16-9-3-2-4-10-16/h2-14H,1H3,(H,19,20)/b11-5+,13-6+.
What are the key properties of (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide?
(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide has a molecular weight of 263.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 56640990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).