(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide

C17H29NO2 — CID 142986622

IUPAC(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
SMILESC=C(/C=C(\C=C(C)C)OC)CC(=O)N(CCC)CCC
InChIInChI=1S/C17H29NO2/c1-7-9-18(10-8-2)17(19)13-15(5)12-16(20-6)11-14(3)4/h11-12H,5,7-10,13H2,1-4,6H3/b16-12+
InChIKeyIWZFUKKLVQBDNI-FOWTUZBSSA-N
MW279.42 g/mol
LogP4.08
Rot. Bonds9

About (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide

(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide (PubChem CID 142986622) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide.

Molecular Properties

Compound Name(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
PubChem CID142986622
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
SMILESC=C(/C=C(\C=C(C)C)OC)CC(=O)N(CCC)CCC
InChIInChI=1S/C17H29NO2/c1-7-9-18(10-8-2)17(19)13-15(5)12-16(20-6)11-14(3)4/h11-12H,5,7-10,13H2,1-4,6H3/b16-12+
InChIKeyIWZFUKKLVQBDNI-FOWTUZBSSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,4Z)-6-ethoxy-3-(fluoromethylidene)-1-pyrrolidin-1-ylhepta-4,6-dien-1-one
CID 169663529
(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide
CID 13483522
1-[(4E)-4-[(2E)-3-methoxypenta-2,4-dienylidene]azepan-1-yl]-2-methylpropan-1-one
CID 88582830
6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one
CID 91512361
5-Ethylidene-4-methoxy-6-(1-methoxyethylidene)-1-methyl-3-(3-methylbut-2-enyl)pyridin-2-one
CID 123836490
N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide
CID 123850279
N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide
CID 139520080
ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
CID 142986621
ethane;N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide
CID 143085945
(3Z,5Z)-5,6-dimethoxy-3-[(E)-2-methoxyprop-1-enyl]-1-(2-methylpiperidin-1-yl)hepta-3,5-dien-1-one
CID 146233292
N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide
CID 153340109
1-[(1R)-7-methoxy-3-azabicyclo[4.4.1]undeca-6(11),7,9-trien-3-yl]-2-methylpropan-1-one
CID 153594719

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
The IUPAC name of (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide (CID 142986622) is (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide.
What is the SMILES notation for (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
The canonical SMILES for (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide is C=C(/C=C(\C=C(C)C)OC)CC(=O)N(CCC)CCC.
What is the InChIKey of (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
The InChIKey is IWZFUKKLVQBDNI-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-9-18(10-8-2)17(19)13-15(5)12-16(20-6)11-14(3)4/h11-12H,5,7-10,13H2,1-4,6H3/b16-12+.
What are the key properties of (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide has a molecular weight of 279.42 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide is sourced from PubChem (CID 142986622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).