(E)-4-ethyl-N-methoxy-N-methyloct-2-enamide

C12H23NO2 — CID 145368971

IUPAC(E)-4-ethyl-N-methoxy-N-methyloct-2-enamide
SMILESCCCCC(/C=C/C(=O)N(C)OC)CC
InChIInChI=1S/C12H23NO2/c1-5-7-8-11(6-2)9-10-12(14)13(3)15-4/h9-11H,5-8H2,1-4H3/b10-9+
InChIKeyOSGSUHOORYSWRG-MDZDMXLPSA-N
MW213.32 g/mol
LogP2.78
Rot. Bonds7

About (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide

(E)-4-ethyl-N-methoxy-N-methyloct-2-enamide (PubChem CID 145368971) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide.

Molecular Properties

Compound Name(E)-4-ethyl-N-methoxy-N-methyloct-2-enamide
PubChem CID145368971
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-4-ethyl-N-methoxy-N-methyloct-2-enamide
SMILESCCCCC(/C=C/C(=O)N(C)OC)CC
InChIInChI=1S/C12H23NO2/c1-5-7-8-11(6-2)9-10-12(14)13(3)15-4/h9-11H,5-8H2,1-4H3/b10-9+
InChIKeyOSGSUHOORYSWRG-MDZDMXLPSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-ethyl-N-methoxy-N-methyloct-2-enamide?
The IUPAC name of (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide (CID 145368971) is (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide.
What is the SMILES notation for (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide?
The canonical SMILES for (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide is CCCCC(/C=C/C(=O)N(C)OC)CC.
What is the InChIKey of (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide?
The InChIKey is OSGSUHOORYSWRG-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-7-8-11(6-2)9-10-12(14)13(3)15-4/h9-11H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide?
(E)-4-ethyl-N-methoxy-N-methyloct-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-N-methoxy-N-methyloct-2-enamide is sourced from PubChem (CID 145368971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).