N-(2-methylpropyl)-6-oxohepta-2,4-dienamide

C11H17NO2 — CID 74405774

IUPACN-(2-methylpropyl)-6-oxohepta-2,4-dienamide
SMILESCC(=O)C=CC=CC(=O)NCC(C)C
InChIInChI=1S/C11H17NO2/c1-9(2)8-12-11(14)7-5-4-6-10(3)13/h4-7,9H,8H2,1-3H3,(H,12,14)
InChIKeyWOZPVGYGEASHHK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.46
Rot. Bonds5

About N-(2-methylpropyl)-6-oxohepta-2,4-dienamide

N-(2-methylpropyl)-6-oxohepta-2,4-dienamide (PubChem CID 74405774) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxohepta-2,4-dienamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxohepta-2,4-dienamide
PubChem CID74405774
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(2-methylpropyl)-6-oxohepta-2,4-dienamide
SMILESCC(=O)C=CC=CC(=O)NCC(C)C
InChIInChI=1S/C11H17NO2/c1-9(2)8-12-11(14)7-5-4-6-10(3)13/h4-7,9H,8H2,1-3H3,(H,12,14)
InChIKeyWOZPVGYGEASHHK-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
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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Related Compounds

Pellitorine
CID 5318516
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Hydroxy-Gamma-Isosanshool
CID 14135316
Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Hydroxy-Alpha-Sanshool
CID 10084135
Hydroxy-Beta-Sanshool
CID 10220912
Hydroxy-Gamma-Sanshool
CID 14135317
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
Isobungeanool
CID 14135320
2,4-Undecadiene-8,10-diynoic acid isobutylamide
CID 15609884

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
The IUPAC name of N-(2-methylpropyl)-6-oxohepta-2,4-dienamide (CID 74405774) is N-(2-methylpropyl)-6-oxohepta-2,4-dienamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxohepta-2,4-dienamide is CC(=O)C=CC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
The InChIKey is WOZPVGYGEASHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)8-12-11(14)7-5-4-6-10(3)13/h4-7,9H,8H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methylpropyl)-6-oxohepta-2,4-dienamide?
N-(2-methylpropyl)-6-oxohepta-2,4-dienamide has a molecular weight of 195.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxohepta-2,4-dienamide is sourced from PubChem (CID 74405774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).