(2E)-4-benzyl-2-methylpenta-2,4-dienamide

C13H15NO — CID 135192037

IUPAC(2E)-4-benzyl-2-methylpenta-2,4-dienamide
SMILESC=C(/C=C(\C)C(N)=O)Cc1ccccc1
InChIInChI=1S/C13H15NO/c1-10(8-11(2)13(14)15)9-12-6-4-3-5-7-12/h3-8H,1,9H2,2H3,(H2,14,15)/b11-8+
InChIKeyBOAZFZDYFOLGDC-DHZHZOJOSA-N
MW201.27 g/mol
LogP2.22
Rot. Bonds4

About (2E)-4-benzyl-2-methylpenta-2,4-dienamide

(2E)-4-benzyl-2-methylpenta-2,4-dienamide (PubChem CID 135192037) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E)-4-benzyl-2-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-benzyl-2-methylpenta-2,4-dienamide
PubChem CID135192037
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2E)-4-benzyl-2-methylpenta-2,4-dienamide
SMILESC=C(/C=C(\C)C(N)=O)Cc1ccccc1
InChIInChI=1S/C13H15NO/c1-10(8-11(2)13(14)15)9-12-6-4-3-5-7-12/h3-8H,1,9H2,2H3,(H2,14,15)/b11-8+
InChIKeyBOAZFZDYFOLGDC-DHZHZOJOSA-N
XLogP2.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.22
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

[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene
CID 143856849
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2,3-dimethyl-4-phenylbut-2-enamide
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(E)-4-imino-2-methyl-6-phenylhex-2-enamide
CID 134354103
(2E,4E)-4-benzyl-5-methyl-2-[(1E)-2-methyl-3-(methylamino)buta-1,3-dienyl]hepta-2,4-dienamide
CID 142417856
3-methyl-4-phenylbut-2-enoic acid
CID 22414
2-benzyl-1-deuterioprop-2-en-1-one
CID 166025092
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
benzene;1-phenylpropan-2-one
CID 21430852
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
3-benzylbuta-1,3-dien-1-one
CID 142401977
2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714

Frequently Asked Questions

What is the IUPAC name of (2E)-4-benzyl-2-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-4-benzyl-2-methylpenta-2,4-dienamide (CID 135192037) is (2E)-4-benzyl-2-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-4-benzyl-2-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-4-benzyl-2-methylpenta-2,4-dienamide is C=C(/C=C(\C)C(N)=O)Cc1ccccc1.
What is the InChIKey of (2E)-4-benzyl-2-methylpenta-2,4-dienamide?
The InChIKey is BOAZFZDYFOLGDC-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(8-11(2)13(14)15)9-12-6-4-3-5-7-12/h3-8H,1,9H2,2H3,(H2,14,15)/b11-8+.
What are the key properties of (2E)-4-benzyl-2-methylpenta-2,4-dienamide?
(2E)-4-benzyl-2-methylpenta-2,4-dienamide has a molecular weight of 201.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-benzyl-2-methylpenta-2,4-dienamide is sourced from PubChem (CID 135192037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).