N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide

C17H23NO4 — CID 74015246

IUPACN-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
SMILESCOc1ccc(C(OC)C(C)(C)C=CC=CC(=O)NO)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,12-6-5-7-15(19)18-20)16(22-4)13-8-10-14(21-3)11-9-13/h5-12,16,20H,1-4H3,(H,18,19)
InChIKeyJSGOCIHNCWZIDN-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.03
Rot. Bonds7

About N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide

N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide (PubChem CID 74015246) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide.

Molecular Properties

Compound NameN-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
PubChem CID74015246
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
SMILESCOc1ccc(C(OC)C(C)(C)C=CC=CC(=O)NO)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,12-6-5-7-15(19)18-20)16(22-4)13-8-10-14(21-3)11-9-13/h5-12,16,20H,1-4H3,(H,18,19)
InChIKeyJSGOCIHNCWZIDN-UHFFFAOYSA-N
XLogP3.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.03
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-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015249
(2E,4E)-N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 23072465
ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate
CID 68621070
N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 74015257
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide
CID 10062255
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 11066876
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
3-methoxy-3-(4-methoxyphenyl)-2,2-dimethylpropanal;methylidene(triphenyl)-λ5-phosphane
CID 90776006
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
The IUPAC name of N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide (CID 74015246) is N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide.
What is the SMILES notation for N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
The canonical SMILES for N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide is COc1ccc(C(OC)C(C)(C)C=CC=CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
The InChIKey is JSGOCIHNCWZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,12-6-5-7-15(19)18-20)16(22-4)13-8-10-14(21-3)11-9-13/h5-12,16,20H,1-4H3,(H,18,19).
What are the key properties of N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide has a molecular weight of 305.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide is sourced from PubChem (CID 74015246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).