(Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide

C16H31NO2 — CID 153306745

IUPAC(Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
SMILESCC(C)(C)CNC(=O)CC/C=C\COCC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6/h7,9H,8,10-13H2,1-6H3,(H,17,18)/b9-7-
InChIKeyQMJVTHXMHFLHAE-CLFYSBASSA-N
MW269.43 g/mol
LogP3.55
Rot. Bonds7

About (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide

(Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide (PubChem CID 153306745) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide.

Molecular Properties

Compound Name(Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
PubChem CID153306745
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
SMILESCC(C)(C)CNC(=O)CC/C=C\COCC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6/h7,9H,8,10-13H2,1-6H3,(H,17,18)/b9-7-
InChIKeyQMJVTHXMHFLHAE-CLFYSBASSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.55
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 (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
The IUPAC name of (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide (CID 153306745) is (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide.
What is the SMILES notation for (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
The canonical SMILES for (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide is CC(C)(C)CNC(=O)CC/C=C\COCC(C)(C)C.
What is the InChIKey of (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
The InChIKey is QMJVTHXMHFLHAE-CLFYSBASSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,3)12-17-14(18)10-8-7-9-11-19-13-16(4,5)6/h7,9H,8,10-13H2,1-6H3,(H,17,18)/b9-7-.
What are the key properties of (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide?
(Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide has a molecular weight of 269.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide is sourced from PubChem (CID 153306745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).