(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane

C15H25NO2 — CID 145235865

IUPAC(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane
SMILESC=CC(=O)/C(C)=C/C(=C)C(=O)N(C)CCC.CC
InChIInChI=1S/C13H19NO2.C2H6/c1-6-8-14(5)13(16)11(4)9-10(3)12(15)7-2;1-2/h7,9H,2,4,6,8H2,1,3,5H3;1-2H3/b10-9+;
InChIKeyIUXJDACPHXATMA-RRABGKBLSA-N
MW251.37 g/mol
LogP3.14
Rot. Bonds6

About (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane

(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane (PubChem CID 145235865) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane.

Molecular Properties

Compound Name(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane
PubChem CID145235865
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane
SMILESC=CC(=O)/C(C)=C/C(=C)C(=O)N(C)CCC.CC
InChIInChI=1S/C13H19NO2.C2H6/c1-6-8-14(5)13(16)11(4)9-10(3)12(15)7-2;1-2/h7,9H,2,4,6,8H2,1,3,5H3;1-2H3/b10-9+;
InChIKeyIUXJDACPHXATMA-RRABGKBLSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane?
The IUPAC name of (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane (CID 145235865) is (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane.
What is the SMILES notation for (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane?
The canonical SMILES for (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane is C=CC(=O)/C(C)=C/C(=C)C(=O)N(C)CCC.CC.
What is the InChIKey of (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane?
The InChIKey is IUXJDACPHXATMA-RRABGKBLSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-6-8-14(5)13(16)11(4)9-10(3)12(15)7-2;1-2/h7,9H,2,4,6,8H2,1,3,5H3;1-2H3/b10-9+;.
What are the key properties of (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane?
(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane has a molecular weight of 251.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane is sourced from PubChem (CID 145235865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).