(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide

C19H19NO — CID 102036043

IUPAC(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(=C/C(=O)NCc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO/c1-16(12-13-17-8-4-2-5-9-17)14-19(21)20-15-18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,20,21)/b13-12+,16-14-
InChIKeyONDNXMYWTJBGBN-LIACPWMRSA-N
MW277.37 g/mol
LogP3.96
Rot. Bonds5

About (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide

(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide (PubChem CID 102036043) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
PubChem CID102036043
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(=C/C(=O)NCc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO/c1-16(12-13-17-8-4-2-5-9-17)14-19(21)20-15-18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,20,21)/b13-12+,16-14-
InChIKeyONDNXMYWTJBGBN-LIACPWMRSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.96
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

(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 6019548
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
CID 135040365
(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one
CID 13383969
tert-butyl (2E,4E)-3-methyl-5-phenylpenta-2,4-dienoate
CID 134982649
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide (CID 102036043) is (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide is CC(=C/C(=O)NCc1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide?
The InChIKey is ONDNXMYWTJBGBN-LIACPWMRSA-N. The full InChI is InChI=1S/C19H19NO/c1-16(12-13-17-8-4-2-5-9-17)14-19(21)20-15-18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,20,21)/b13-12+,16-14-.
What are the key properties of (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide?
(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide has a molecular weight of 277.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 102036043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).