(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide

C11H19NO3 — CID 87672910

IUPAC(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
SMILESC=CC/C(C)=C\CC(O)C(=O)N(C)OC
InChIInChI=1S/C11H19NO3/c1-5-6-9(2)7-8-10(13)11(14)12(3)15-4/h5,7,10,13H,1,6,8H2,2-4H3/b9-7-
InChIKeyKPZGADUIQYUMQH-CLFYSBASSA-N
MW213.28 g/mol
LogP1.28
Rot. Bonds6

About (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide

(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide (PubChem CID 87672910) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide.

Molecular Properties

Compound Name(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
PubChem CID87672910
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
SMILESC=CC/C(C)=C\CC(O)C(=O)N(C)OC
InChIInChI=1S/C11H19NO3/c1-5-6-9(2)7-8-10(13)11(14)12(3)15-4/h5,7,10,13H,1,6,8H2,2-4H3/b9-7-
InChIKeyKPZGADUIQYUMQH-CLFYSBASSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
CID 59990586
(5Z)-6-methylnona-5,8-dien-3-ol
CID 59545208
[(4E)-2,5-dimethylocta-4,7-dienyl] propanoate
CID 101283020
magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride
CID 157233240
N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide
CID 166444620
(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide
CID 142240628
N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide
CID 166436887
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365
(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal
CID 123615369
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
CID 25259472

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide?
The IUPAC name of (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide (CID 87672910) is (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide.
What is the SMILES notation for (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide?
The canonical SMILES for (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide is C=CC/C(C)=C\CC(O)C(=O)N(C)OC.
What is the InChIKey of (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide?
The InChIKey is KPZGADUIQYUMQH-CLFYSBASSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-9(2)7-8-10(13)11(14)12(3)15-4/h5,7,10,13H,1,6,8H2,2-4H3/b9-7-.
What are the key properties of (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide?
(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide has a molecular weight of 213.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide is sourced from PubChem (CID 87672910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).