(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide

C13H16N2O2 — CID 125484977

IUPAC(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide
SMILESCON(C)NC(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-15(17-2)14-13(16)11-7-6-10-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,14,16)/b10-6+,11-7+
InChIKeyQHCZBPRAVZKXNH-JMQWPVDRSA-N
MW232.28 g/mol
LogP1.78
Rot. Bonds5

About (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide

(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide (PubChem CID 125484977) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide.

Molecular Properties

Compound Name(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide
PubChem CID125484977
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide
SMILESCON(C)NC(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-15(17-2)14-13(16)11-7-6-10-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,14,16)/b10-6+,11-7+
InChIKeyQHCZBPRAVZKXNH-JMQWPVDRSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid
CID 123498483
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
(3Z,5E)-3-methoxy-6-phenylhexa-3,5-dien-2-one
CID 101120530
(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide
CID 56640990
O-(2-oxo-8-phenylocta-3,5,7-trienyl) ethanethioate
CID 90725185
furan-2,5-dione;methyl 5-phenylpenta-2,4-dienoate
CID 157407947

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide?
The IUPAC name of (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide (CID 125484977) is (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide.
What is the SMILES notation for (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide?
The canonical SMILES for (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide is CON(C)NC(=O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide?
The InChIKey is QHCZBPRAVZKXNH-JMQWPVDRSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(17-2)14-13(16)11-7-6-10-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,14,16)/b10-6+,11-7+.
What are the key properties of (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide?
(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide has a molecular weight of 232.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide is sourced from PubChem (CID 125484977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).