(E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide

C16H31NO2 — CID 153306596

IUPAC(E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(C)CNC(=O)C(C)(C)C/C=C/COCC(C)C
InChIInChI=1S/C16H31NO2/c1-13(2)11-17-15(18)16(5,6)9-7-8-10-19-12-14(3)4/h7-8,13-14H,9-12H2,1-6H3,(H,17,18)/b8-7+
InChIKeyIVHWBQFOYIIQBZ-BQYQJAHWSA-N
MW269.43 g/mol
LogP3.40
Rot. Bonds9

About (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide

(E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (PubChem CID 153306596) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
PubChem CID153306596
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(C)CNC(=O)C(C)(C)C/C=C/COCC(C)C
InChIInChI=1S/C16H31NO2/c1-13(2)11-17-15(18)16(5,6)9-7-8-10-19-12-14(3)4/h7-8,13-14H,9-12H2,1-6H3,(H,17,18)/b8-7+
InChIKeyIVHWBQFOYIIQBZ-BQYQJAHWSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The IUPAC name of (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (CID 153306596) is (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.
What is the SMILES notation for (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The canonical SMILES for (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is CC(C)CNC(=O)C(C)(C)C/C=C/COCC(C)C.
What is the InChIKey of (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The InChIKey is IVHWBQFOYIIQBZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)11-17-15(18)16(5,6)9-7-8-10-19-12-14(3)4/h7-8,13-14H,9-12H2,1-6H3,(H,17,18)/b8-7+.
What are the key properties of (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
(E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide has a molecular weight of 269.43 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is sourced from PubChem (CID 153306596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).