(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide

C17H28N2O2 — CID 89214883

IUPAC(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide
SMILESC=C/C(=C\C=C/CC(=O)N(C(C)C)C(C)C)NC(=O)CC
InChIInChI=1S/C17H28N2O2/c1-7-15(18-16(20)8-2)11-9-10-12-17(21)19(13(3)4)14(5)6/h7,9-11,13-14H,1,8,12H2,2-6H3,(H,18,20)/b10-9-,15-11+
InChIKeyKRQJRWJORNOXDN-JCCAHGDBSA-N
MW292.42 g/mol
LogP3.17
Rot. Bonds8

About (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide

(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide (PubChem CID 89214883) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide.

Molecular Properties

Compound Name(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide
PubChem CID89214883
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide
SMILESC=C/C(=C\C=C/CC(=O)N(C(C)C)C(C)C)NC(=O)CC
InChIInChI=1S/C17H28N2O2/c1-7-15(18-16(20)8-2)11-9-10-12-17(21)19(13(3)4)14(5)6/h7,9-11,13-14H,1,8,12H2,2-6H3,(H,18,20)/b10-9-,15-11+
InChIKeyKRQJRWJORNOXDN-JCCAHGDBSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide?
The IUPAC name of (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide (CID 89214883) is (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide.
What is the SMILES notation for (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide?
The canonical SMILES for (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide is C=C/C(=C\C=C/CC(=O)N(C(C)C)C(C)C)NC(=O)CC.
What is the InChIKey of (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide?
The InChIKey is KRQJRWJORNOXDN-JCCAHGDBSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-15(18-16(20)8-2)11-9-10-12-17(21)19(13(3)4)14(5)6/h7,9-11,13-14H,1,8,12H2,2-6H3,(H,18,20)/b10-9-,15-11+.
What are the key properties of (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide?
(3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide has a molecular weight of 292.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-(propanoylamino)-N,N-di(propan-2-yl)octa-3,5,7-trienamide is sourced from PubChem (CID 89214883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).