(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide

C13H23NO2 — CID 15416267

IUPAC(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C\C(O)C(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)9-14-13(16)8-6-5-7-12(15)11(3)4/h5-8,10-12,15H,9H2,1-4H3,(H,14,16)/b7-5-,8-6+
InChIKeyLMNLNDVTAQKVRS-CGXWXWIYSA-N
MW225.33 g/mol
LogP1.89
Rot. Bonds6

About (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide

(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide (PubChem CID 15416267) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide
PubChem CID15416267
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C\C(O)C(C)C
InChIInChI=1S/C13H23NO2/c1-10(2)9-14-13(16)8-6-5-7-12(15)11(3)4/h5-8,10-12,15H,9H2,1-4H3,(H,14,16)/b7-5-,8-6+
InChIKeyLMNLNDVTAQKVRS-CGXWXWIYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E,6Z,8E,10E,12R,13R,14E)-13-Hydroxy-N-((1S)-2-hydroxy-1-methylethyl)-2,10,12,14,16-pentamethyl-2,4,6,8,10,14-heptadecahexaenamide
CID 5282085
(2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 71720071
9,10-Dihydroxy-7,15-dimethyl-20-(2-hexenyl)azacycloeicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 6439426
(3E,5E,7E,9S,10R,11Z,13E,15E,17E,20R)-9,10-dihydroxy-7,15-dimethyl-20-[(2E,4E)-octa-2,4-dienyl]-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 132559494
(2E,6Z,8E,10R,11S)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
CID 71717033
Myxalamide A
CID 6440913
(5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-10-hydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 127029842
(5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 127034349
(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide
CID 127025457
ZP-amide A
CID 71719469
(E,4R,5R)-4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
CID 11447544
ZP-amide D
CID 71717660

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide?
The IUPAC name of (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide (CID 15416267) is (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C\C(O)C(C)C.
What is the InChIKey of (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide?
The InChIKey is LMNLNDVTAQKVRS-CGXWXWIYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)9-14-13(16)8-6-5-7-12(15)11(3)4/h5-8,10-12,15H,9H2,1-4H3,(H,14,16)/b7-5-,8-6+.
What are the key properties of (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide?
(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide has a molecular weight of 225.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide is sourced from PubChem (CID 15416267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).