(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide

C15H19NO4 — CID 23072465

IUPAC(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
SMILESCOc1ccc(C(C/C=C/C=C/C(=O)NO)OC)cc1
InChIInChI=1S/C15H19NO4/c1-19-13-10-8-12(9-11-13)14(20-2)6-4-3-5-7-15(17)16-18/h3-5,7-11,14,18H,6H2,1-2H3,(H,16,17)/b4-3+,7-5+
InChIKeyPWWAWKVBBINJAZ-BDWKERMESA-N
MW277.32 g/mol
LogP2.39
Rot. Bonds7

About (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide

(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide (PubChem CID 23072465) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
PubChem CID23072465
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
SMILESCOc1ccc(C(C/C=C/C=C/C(=O)NO)OC)cc1
InChIInChI=1S/C15H19NO4/c1-19-13-10-8-12(9-11-13)14(20-2)6-4-3-5-7-15(17)16-18/h3-5,7-11,14,18H,6H2,1-2H3,(H,16,17)/b4-3+,7-5+
InChIKeyPWWAWKVBBINJAZ-BDWKERMESA-N
XLogP2.39
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 74015257
7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienoic acid;hydrochloride
CID 173099337
[(1R,3E,5E)-7-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-7-oxohepta-3,5-dienyl] N-(4-methoxyphenyl)carbamate
CID 23818160
N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 87518782
(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide
CID 10062255
N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015246
7-methoxy-7-phenylhepta-2,4-dienoyl chloride
CID 91213709
[(1S,2R,4E,6E)-8-(hydroxyamino)-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-8-oxoocta-4,6-dienyl] N-(4-methoxyphenyl)carbamate
CID 23874731
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
(E)-3-(4-hydroxyphenyl)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 11186462
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide (CID 23072465) is (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide is COc1ccc(C(C/C=C/C=C/C(=O)NO)OC)cc1.
What is the InChIKey of (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
The InChIKey is PWWAWKVBBINJAZ-BDWKERMESA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-10-8-12(9-11-13)14(20-2)6-4-3-5-7-15(17)16-18/h3-5,7-11,14,18H,6H2,1-2H3,(H,16,17)/b4-3+,7-5+.
What are the key properties of (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide?
(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide has a molecular weight of 277.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide is sourced from PubChem (CID 23072465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).