(E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide

C13H23NO — CID 138546730

IUPAC(E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide
SMILESC/C=C(\C=C\CC)CC(=O)N(CC)CC
InChIInChI=1S/C13H23NO/c1-5-9-10-12(6-2)11-13(15)14(7-3)8-4/h6,9-10H,5,7-8,11H2,1-4H3/b10-9+,12-6+
InChIKeyDWAWNOZMSOXGOO-AYCKBHPDSA-N
MW209.33 g/mol
LogP3.16
Rot. Bonds6

About (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide

(E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide (PubChem CID 138546730) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide.

Molecular Properties

Compound Name(E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide
PubChem CID138546730
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide
SMILESC/C=C(\C=C\CC)CC(=O)N(CC)CC
InChIInChI=1S/C13H23NO/c1-5-9-10-12(6-2)11-13(15)14(7-3)8-4/h6,9-10H,5,7-8,11H2,1-4H3/b10-9+,12-6+
InChIKeyDWAWNOZMSOXGOO-AYCKBHPDSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
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CID 143157782
ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide
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4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one
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(5Z,7E)-1-ethyl-7-(trifluoromethyl)-3,4-dihydroazocin-2-one
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Frequently Asked Questions

What is the IUPAC name of (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide?
The IUPAC name of (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide (CID 138546730) is (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide.
What is the SMILES notation for (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide?
The canonical SMILES for (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide is C/C=C(\C=C\CC)CC(=O)N(CC)CC.
What is the InChIKey of (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide?
The InChIKey is DWAWNOZMSOXGOO-AYCKBHPDSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-9-10-12(6-2)11-13(15)14(7-3)8-4/h6,9-10H,5,7-8,11H2,1-4H3/b10-9+,12-6+.
What are the key properties of (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide?
(E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide has a molecular weight of 209.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-N,N-diethyl-3-ethylidenehept-4-enamide is sourced from PubChem (CID 138546730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).