(E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide

C15H29NO2 — CID 14570363

IUPAC(E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide
SMILESCC(C)C/C=C/CC(OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)10-8-9-11-13(14(17)16(6)7)18-15(3,4)5/h8-9,12-13H,10-11H2,1-7H3/b9-8+
InChIKeyJRVKTEQJADXXKJ-CMDGGOBGSA-N
MW255.40 g/mol
LogP3.25
Rot. Bonds6

About (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide

(E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide (PubChem CID 14570363) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide.

Molecular Properties

Compound Name(E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide
PubChem CID14570363
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide
SMILESCC(C)C/C=C/CC(OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)10-8-9-11-13(14(17)16(6)7)18-15(3,4)5/h8-9,12-13H,10-11H2,1-7H3/b9-8+
InChIKeyJRVKTEQJADXXKJ-CMDGGOBGSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
CID 135042125
(E)-6-cyclohexyl-2-methoxy-N,N-dimethylhex-4-enamide
CID 17801910
6-cyclohexyl-2-methoxy-N,N-dimethylhex-4-enamide
CID 53840964
(E)-2-methoxy-N,N,7-trimethyloct-4-enamide
CID 14570362
(E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one
CID 23241161

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide?
The IUPAC name of (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide (CID 14570363) is (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide.
What is the SMILES notation for (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide?
The canonical SMILES for (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide is CC(C)C/C=C/CC(OC(C)(C)C)C(=O)N(C)C.
What is the InChIKey of (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide?
The InChIKey is JRVKTEQJADXXKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)10-8-9-11-13(14(17)16(6)7)18-15(3,4)5/h8-9,12-13H,10-11H2,1-7H3/b9-8+.
What are the key properties of (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide?
(E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide is sourced from PubChem (CID 14570363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).