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

C19H35NO2 — CID 142986621

IUPACethane;(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.CC
InChIInChI=1S/C17H29NO2.C2H6/c1-7-9-18(10-8-2)17(19)13-15(5)12-16(20-6)11-14(3)4;1-2/h11-12H,5,7-10,13H2,1-4,6H3;1-2H3/b16-12+;
InChIKeyDLRTVTBQUIVCPW-CLNHMMGSSA-N
MW309.49 g/mol
LogP5.10
Rot. Bonds9

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

ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide (PubChem CID 142986621) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide.

Molecular Properties

Compound Nameethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
PubChem CID142986621
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Nameethane;(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.CC
InChIInChI=1S/C17H29NO2.C2H6/c1-7-9-18(10-8-2)17(19)13-15(5)12-16(20-6)11-14(3)4;1-2/h11-12H,5,7-10,13H2,1-4,6H3;1-2H3/b16-12+;
InChIKeyDLRTVTBQUIVCPW-CLNHMMGSSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.49
LogP ≤ 55.10
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

(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide
CID 13483522
6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one
CID 91512361
(3Z,5E)-N-butyl-6-methoxy-4-methyl-2-methylidene-N-propylhepta-3,5-dienamide;ethane
CID 142986649
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
2-(5-methoxycyclohexa-1,5-dien-1-yl)-N-methyl-N-propylacetamide
CID 173184253
(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
CID 142986622
N-[(2R,3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]-N-[(2R,5Z,7E)-7-methoxydeca-5,7-dien-2-yl]acetamide
CID 143085946
(3E,5Z,7E)-N-methyl-8-(7-methylcyclohepta-1,4,6-trien-1-yl)oxy-N-propylnona-3,5,7-trienamide
CID 143595389
6-Methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one
CID 143991262

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
The IUPAC name of ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide (CID 142986621) is ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide.
What is the SMILES notation for ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
The canonical SMILES for ethane;(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.CC.
What is the InChIKey of ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
The InChIKey is DLRTVTBQUIVCPW-CLNHMMGSSA-N. The full InChI is InChI=1S/C17H29NO2.C2H6/c1-7-9-18(10-8-2)17(19)13-15(5)12-16(20-6)11-14(3)4;1-2/h11-12H,5,7-10,13H2,1-4,6H3;1-2H3/b16-12+;.
What are the key properties of ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide?
ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide has a molecular weight of 309.49 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide is sourced from PubChem (CID 142986621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).