14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide

C24H35NO5 — CID 54564276

IUPAC14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide
SMILESCOc1ccc(CCC(O)C=CC=CC=CC(O)CCCC(=O)N(C)C)cc1OC
InChIInChI=1S/C24H35NO5/c1-25(2)24(28)13-9-12-20(26)10-7-5-6-8-11-21(27)16-14-19-15-17-22(29-3)23(18-19)30-4/h5-8,10-11,15,17-18,20-21,26-27H,9,12-14,16H2,1-4H3
InChIKeyZSSMUNPOOOAJEP-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.29
Rot. Bonds13

About 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide

14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide (PubChem CID 54564276) has the molecular formula C24H35NO5 and a molecular weight of 417.55 g/mol. Its IUPAC name is 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide.

Molecular Properties

Compound Name14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide
PubChem CID54564276
Molecular FormulaC24H35NO5
Molecular Weight417.55 g/mol
Exact Mass417.25
IUPAC Name14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide
SMILESCOc1ccc(CCC(O)C=CC=CC=CC(O)CCCC(=O)N(C)C)cc1OC
InChIInChI=1S/C24H35NO5/c1-25(2)24(28)13-9-12-20(26)10-7-5-6-8-11-21(27)16-14-19-15-17-22(29-3)23(18-19)30-4/h5-8,10-11,15,17-18,20-21,26-27H,9,12-14,16H2,1-4H3
InChIKeyZSSMUNPOOOAJEP-UHFFFAOYSA-N
XLogP3.29
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E,7Z,9E)-4,11-dihydroxy-15-(3,4,5-trimethoxyphenyl)pentadeca-5,7,9-trienamide
CID 88651558
5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide
CID 112511084
13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
CID 88651362
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
CID 8681988
3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111068201
(2E,4E,6R)-7-(3,4-dimethoxyphenyl)-1-(ethylamino)hepta-2,4-diene-1,6-diol
CID 72694813
10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one
CID 101095743
4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
CID 79422604
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
4-[(E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)hept-3-enyl]-2-methoxyphenol
CID 45276601
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716

Frequently Asked Questions

What is the IUPAC name of 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide?
The IUPAC name of 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide (CID 54564276) is 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide.
What is the SMILES notation for 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide?
The canonical SMILES for 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide is COc1ccc(CCC(O)C=CC=CC=CC(O)CCCC(=O)N(C)C)cc1OC.
What is the InChIKey of 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide?
The InChIKey is ZSSMUNPOOOAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO5/c1-25(2)24(28)13-9-12-20(26)10-7-5-6-8-11-21(27)16-14-19-15-17-22(29-3)23(18-19)30-4/h5-8,10-11,15,17-18,20-21,26-27H,9,12-14,16H2,1-4H3.
What are the key properties of 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide?
14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide has a molecular weight of 417.55 g/mol, XLogP of 3.29, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide is sourced from PubChem (CID 54564276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).