(E)-2-methoxy-N,N,7-trimethyloct-4-enamide

C12H23NO2 — CID 14570362

IUPAC(E)-2-methoxy-N,N,7-trimethyloct-4-enamide
SMILESCOC(C/C=C/CC(C)C)C(=O)N(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)8-6-7-9-11(15-5)12(14)13(3)4/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyHTDCRAJIJNIDGJ-VOTSOKGWSA-N
MW213.32 g/mol
LogP2.08
Rot. Bonds6

About (E)-2-methoxy-N,N,7-trimethyloct-4-enamide

(E)-2-methoxy-N,N,7-trimethyloct-4-enamide (PubChem CID 14570362) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-2-methoxy-N,N,7-trimethyloct-4-enamide.

Molecular Properties

Compound Name(E)-2-methoxy-N,N,7-trimethyloct-4-enamide
PubChem CID14570362
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-2-methoxy-N,N,7-trimethyloct-4-enamide
SMILESCOC(C/C=C/CC(C)C)C(=O)N(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)8-6-7-9-11(15-5)12(14)13(3)4/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyHTDCRAJIJNIDGJ-VOTSOKGWSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.08
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)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide
CID 14570363
(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)-2-methoxy-N,N,7-trimethyloct-4-enamide?
The IUPAC name of (E)-2-methoxy-N,N,7-trimethyloct-4-enamide (CID 14570362) is (E)-2-methoxy-N,N,7-trimethyloct-4-enamide.
What is the SMILES notation for (E)-2-methoxy-N,N,7-trimethyloct-4-enamide?
The canonical SMILES for (E)-2-methoxy-N,N,7-trimethyloct-4-enamide is COC(C/C=C/CC(C)C)C(=O)N(C)C.
What is the InChIKey of (E)-2-methoxy-N,N,7-trimethyloct-4-enamide?
The InChIKey is HTDCRAJIJNIDGJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-6-7-9-11(15-5)12(14)13(3)4/h6-7,10-11H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-2-methoxy-N,N,7-trimethyloct-4-enamide?
(E)-2-methoxy-N,N,7-trimethyloct-4-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-N,N,7-trimethyloct-4-enamide is sourced from PubChem (CID 14570362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).