(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide

C18H35NO2 — CID 147348593

IUPAC(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide
SMILESCC(C)(C)CNC(=O)C(C)(C)C/C=C/COCC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6/h9-10H,11-14H2,1-8H3,(H,19,20)/b10-9+
InChIKeyDEXZLFXSECYIKT-MDZDMXLPSA-N
MW297.48 g/mol
LogP4.18
Rot. Bonds7

About (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide

(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide (PubChem CID 147348593) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide.

Molecular Properties

Compound Name(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide
PubChem CID147348593
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide
SMILESCC(C)(C)CNC(=O)C(C)(C)C/C=C/COCC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6/h9-10H,11-14H2,1-8H3,(H,19,20)/b10-9+
InChIKeyDEXZLFXSECYIKT-MDZDMXLPSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.18
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-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide?
The IUPAC name of (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide (CID 147348593) is (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide.
What is the SMILES notation for (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide?
The canonical SMILES for (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide is CC(C)(C)CNC(=O)C(C)(C)C/C=C/COCC(C)(C)C.
What is the InChIKey of (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide?
The InChIKey is DEXZLFXSECYIKT-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H35NO2/c1-16(2,3)13-19-15(20)18(7,8)11-9-10-12-21-14-17(4,5)6/h9-10H,11-14H2,1-8H3,(H,19,20)/b10-9+.
What are the key properties of (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide?
(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide has a molecular weight of 297.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide is sourced from PubChem (CID 147348593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).