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

C15H29NO2 — CID 156566750

IUPAC(Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide
SMILESCC(C)COC/C=C\CCC(=O)NCC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-13(2)11-18-10-8-6-7-9-14(17)16-12-15(3,4)5/h6,8,13H,7,9-12H2,1-5H3,(H,16,17)/b8-6-
InChIKeyNVHFBXZKPMRVBK-VURMDHGXSA-N
MW255.40 g/mol
LogP3.16
Rot. Bonds8

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

(Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide (PubChem CID 156566750) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide.

Molecular Properties

Compound Name(Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide
PubChem CID156566750
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide
SMILESCC(C)COC/C=C\CCC(=O)NCC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-13(2)11-18-10-8-6-7-9-14(17)16-12-15(3,4)5/h6,8,13H,7,9-12H2,1-5H3,(H,16,17)/b8-6-
InChIKeyNVHFBXZKPMRVBK-VURMDHGXSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.16
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)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide?
The IUPAC name of (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide (CID 156566750) is (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide.
What is the SMILES notation for (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide?
The canonical SMILES for (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide is CC(C)COC/C=C\CCC(=O)NCC(C)(C)C.
What is the InChIKey of (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide?
The InChIKey is NVHFBXZKPMRVBK-VURMDHGXSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)11-18-10-8-6-7-9-14(17)16-12-15(3,4)5/h6,8,13H,7,9-12H2,1-5H3,(H,16,17)/b8-6-.
What are the key properties of (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide?
(Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,2-dimethylpropyl)-6-(2-methylpropoxy)hex-4-enamide is sourced from PubChem (CID 156566750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).