(2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide

C23H33NO3 — CID 71529387

IUPAC(2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide
SMILESCOc1ccc(C/C=C/CCC/C=C/C=C/C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C23H33NO3/c1-19(2)18-24-23(25)14-12-10-8-6-5-7-9-11-13-20-15-16-21(26-3)22(17-20)27-4/h8-12,14-17,19H,5-7,13,18H2,1-4H3,(H,24,25)/b10-8+,11-9+,14-12+
InChIKeyUUTRIIGZWQCVBD-YXULGHPXSA-N
MW371.52 g/mol
LogP4.86
Rot. Bonds12

About (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide

(2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide (PubChem CID 71529387) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide.

Molecular Properties

Compound Name(2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide
PubChem CID71529387
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name(2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide
SMILESCOc1ccc(C/C=C/CCC/C=C/C=C/C(=O)NCC(C)C)cc1OC
InChIInChI=1S/C23H33NO3/c1-19(2)18-24-23(25)14-12-10-8-6-5-7-9-11-13-20-15-16-21(26-3)22(17-20)27-4/h8-12,14-17,19H,5-7,13,18H2,1-4H3,(H,24,25)/b10-8+,11-9+,14-12+
InChIKeyUUTRIIGZWQCVBD-YXULGHPXSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
CID 146568350
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
CID 88651362
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 88635399
(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
CID 88665225

Frequently Asked Questions

What is the IUPAC name of (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide?
The IUPAC name of (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide (CID 71529387) is (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide.
What is the SMILES notation for (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide?
The canonical SMILES for (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide is COc1ccc(C/C=C/CCC/C=C/C=C/C(=O)NCC(C)C)cc1OC.
What is the InChIKey of (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide?
The InChIKey is UUTRIIGZWQCVBD-YXULGHPXSA-N. The full InChI is InChI=1S/C23H33NO3/c1-19(2)18-24-23(25)14-12-10-8-6-5-7-9-11-13-20-15-16-21(26-3)22(17-20)27-4/h8-12,14-17,19H,5-7,13,18H2,1-4H3,(H,24,25)/b10-8+,11-9+,14-12+.
What are the key properties of (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide?
(2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide has a molecular weight of 371.52 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,9E)-11-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)undeca-2,4,9-trienamide is sourced from PubChem (CID 71529387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).