(5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide

C24H35NO6 — CID 88651558

IUPAC(5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide
SMILESCOc1cc(CCCCC(O)/C=C/C=C\C=C\C(O)CCC(N)=O)cc(OC)c1OC
InChIInChI=1S/C24H35NO6/c1-29-21-16-18(17-22(30-2)24(21)31-3)10-8-9-13-19(26)11-6-4-5-7-12-20(27)14-15-23(25)28/h4-7,11-12,16-17,19-20,26-27H,8-10,13-15H2,1-3H3,(H2,25,28)/b5-4-,11-6+,12-7+
InChIKeyBJYCRWJZZLCYPT-DUZYKVORSA-N
MW433.55 g/mol
LogP3.08
Rot. Bonds15

About (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide

(5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide (PubChem CID 88651558) has the molecular formula C24H35NO6 and a molecular weight of 433.55 g/mol. Its IUPAC name is (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide.

Molecular Properties

Compound Name(5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide
PubChem CID88651558
Molecular FormulaC24H35NO6
Molecular Weight433.55 g/mol
Exact Mass433.25
IUPAC Name(5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide
SMILESCOc1cc(CCCCC(O)/C=C/C=C\C=C\C(O)CCC(N)=O)cc(OC)c1OC
InChIInChI=1S/C24H35NO6/c1-29-21-16-18(17-22(30-2)24(21)31-3)10-8-9-13-19(26)11-6-4-5-7-12-20(27)14-15-23(25)28/h4-7,11-12,16-17,19-20,26-27H,8-10,13-15H2,1-3H3,(H2,25,28)/b5-4-,11-6+,12-7+
InChIKeyBJYCRWJZZLCYPT-DUZYKVORSA-N
XLogP3.08
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide with MolForge

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Related Compounds

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CID 10610814
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
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5-(10-bromodecyl)-1,2,3-trimethoxybenzene
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13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
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5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
(E)-6-(3,4,5-trimethoxyphenyl)hex-2-enal
CID 167549792
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915

Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide?
The IUPAC name of (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide (CID 88651558) is (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide.
What is the SMILES notation for (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide?
The canonical SMILES for (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide is COc1cc(CCCCC(O)/C=C/C=C\C=C\C(O)CCC(N)=O)cc(OC)c1OC.
What is the InChIKey of (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide?
The InChIKey is BJYCRWJZZLCYPT-DUZYKVORSA-N. The full InChI is InChI=1S/C24H35NO6/c1-29-21-16-18(17-22(30-2)24(21)31-3)10-8-9-13-19(26)11-6-4-5-7-12-20(27)14-15-23(25)28/h4-7,11-12,16-17,19-20,26-27H,8-10,13-15H2,1-3H3,(H2,25,28)/b5-4-,11-6+,12-7+.
What are the key properties of (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide?
(5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide has a molecular weight of 433.55 g/mol, XLogP of 3.08, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide is sourced from PubChem (CID 88651558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).