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

C14H27NO2 — CID 153306838

IUPAC(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(C)CNC(=O)CC/C=C/COCC(C)C
InChIInChI=1S/C14H27NO2/c1-12(2)10-15-14(16)8-6-5-7-9-17-11-13(3)4/h5,7,12-13H,6,8-11H2,1-4H3,(H,15,16)/b7-5+
InChIKeyIKPFMERSAXMILY-FNORWQNLSA-N
MW241.37 g/mol
LogP2.77
Rot. Bonds9

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

(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (PubChem CID 153306838) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
PubChem CID153306838
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(C)CNC(=O)CC/C=C/COCC(C)C
InChIInChI=1S/C14H27NO2/c1-12(2)10-15-14(16)8-6-5-7-9-17-11-13(3)4/h5,7,12-13H,6,8-11H2,1-4H3,(H,15,16)/b7-5+
InChIKeyIKPFMERSAXMILY-FNORWQNLSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.77
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)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The IUPAC name of (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (CID 153306838) is (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.
What is the SMILES notation for (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The canonical SMILES for (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is CC(C)CNC(=O)CC/C=C/COCC(C)C.
What is the InChIKey of (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The InChIKey is IKPFMERSAXMILY-FNORWQNLSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)10-15-14(16)8-6-5-7-9-17-11-13(3)4/h5,7,12-13H,6,8-11H2,1-4H3,(H,15,16)/b7-5+.
What are the key properties of (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
(E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide has a molecular weight of 241.37 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is sourced from PubChem (CID 153306838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).