(3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide

C16H27NO — CID 143933028

IUPAC(3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide
SMILESC=C/C(=C\C=C/C)C(C)(C)C(=O)N(CC)CCC
InChIInChI=1S/C16H27NO/c1-7-11-12-14(9-3)16(5,6)15(18)17(10-4)13-8-2/h7,9,11-12H,3,8,10,13H2,1-2,4-6H3/b11-7-,14-12+
InChIKeyYIUZHPMJCGZDQC-WJDJXFINSA-N
MW249.40 g/mol
LogP3.96
Rot. Bonds7

About (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide

(3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide (PubChem CID 143933028) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide
PubChem CID143933028
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide
SMILESC=C/C(=C\C=C/C)C(C)(C)C(=O)N(CC)CCC
InChIInChI=1S/C16H27NO/c1-7-11-12-14(9-3)16(5,6)15(18)17(10-4)13-8-2/h7,9,11-12H,3,8,10,13H2,1-2,4-6H3/b11-7-,14-12+
InChIKeyYIUZHPMJCGZDQC-WJDJXFINSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide?
The IUPAC name of (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide (CID 143933028) is (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide.
What is the SMILES notation for (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide?
The canonical SMILES for (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide is C=C/C(=C\C=C/C)C(C)(C)C(=O)N(CC)CCC.
What is the InChIKey of (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide?
The InChIKey is YIUZHPMJCGZDQC-WJDJXFINSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-11-12-14(9-3)16(5,6)15(18)17(10-4)13-8-2/h7,9,11-12H,3,8,10,13H2,1-2,4-6H3/b11-7-,14-12+.
What are the key properties of (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide?
(3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide has a molecular weight of 249.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethenyl-N-ethyl-2,2-dimethyl-N-propylhepta-3,5-dienamide is sourced from PubChem (CID 143933028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).