(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide

C15H29NO3 — CID 176970862

IUPAC(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
SMILESCCC(CC/C=C/C(=O)N(C)OC)COC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-7-13(12-19-15(2,3)4)10-8-9-11-14(17)16(5)18-6/h9,11,13H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyYIRVBUUJGZVMDH-PKNBQFBNSA-N
MW271.40 g/mol
LogP3.18
Rot. Bonds8

About (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide

(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide (PubChem CID 176970862) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
PubChem CID176970862
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide
SMILESCCC(CC/C=C/C(=O)N(C)OC)COC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-7-13(12-19-15(2,3)4)10-8-9-11-14(17)16(5)18-6/h9,11,13H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyYIRVBUUJGZVMDH-PKNBQFBNSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide (CID 176970862) is (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide is CCC(CC/C=C/C(=O)N(C)OC)COC(C)(C)C.
What is the InChIKey of (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
The InChIKey is YIRVBUUJGZVMDH-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H29NO3/c1-7-13(12-19-15(2,3)4)10-8-9-11-14(17)16(5)18-6/h9,11,13H,7-8,10,12H2,1-6H3/b11-9+.
What are the key properties of (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide?
(E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide has a molecular weight of 271.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methyl-6-[(2-methylpropan-2-yl)oxymethyl]oct-2-enamide is sourced from PubChem (CID 176970862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).