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

C14H27NO2 — CID 158726773

IUPAC6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(C)CNC(=O)CCC=CCOCC(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)
InChIKeyIKPFMERSAXMILY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.77
Rot. Bonds9

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

6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (PubChem CID 158726773) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.

Molecular Properties

Compound Name6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
PubChem CID158726773
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide
SMILESCC(C)CNC(=O)CCC=CCOCC(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)
InChIKeyIKPFMERSAXMILY-UHFFFAOYSA-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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Related Compounds

(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
CID 153306587
(E)-6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide
CID 153306623
(E)-N-(2,2-dimethylpropyl)-2,2-difluoro-6-(2-methylpropoxy)hex-4-enamide
CID 156566483
2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
CID 157186574
6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluorohex-4-enamide
CID 160304909
(E)-2,2-difluoro-N-(2-methylpropyl)-5-propoxypent-3-enamide
CID 166767070
(E)-2,2-difluoro-5-(2-methylpropoxy)-N-propylpent-3-enamide
CID 166767148
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
(E)-N-(2-methoxyethyl)-3-methylhex-4-enamide
CID 87443593
(E)-N-[(E)-4-methoxybut-2-enyl]non-6-enamide
CID 89820634
6-Methoxy-2-(propanoylamino)hex-4-enamide
CID 90723504
N-(2-methoxyethyl)-3-methylhex-4-enamide
CID 90881390

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The IUPAC name of 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide (CID 158726773) is 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide.
What is the SMILES notation for 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The canonical SMILES for 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is CC(C)CNC(=O)CCC=CCOCC(C)C.
What is the InChIKey of 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
The InChIKey is IKPFMERSAXMILY-UHFFFAOYSA-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).
What are the key properties of 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide?
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 6-(2-methylpropoxy)-N-(2-methylpropyl)hex-4-enamide is sourced from PubChem (CID 158726773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).