(E)-N-ethoxy-N-methylhex-4-enamide

C9H17NO2 — CID 167292144

IUPAC(E)-N-ethoxy-N-methylhex-4-enamide
SMILESC/C=C/CCC(=O)N(C)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-8-9(11)10(3)12-5-2/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyKTDVHEZLGIOLTM-GQCTYLIASA-N
MW171.24 g/mol
LogP1.75
Rot. Bonds5

About (E)-N-ethoxy-N-methylhex-4-enamide

(E)-N-ethoxy-N-methylhex-4-enamide (PubChem CID 167292144) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-N-ethoxy-N-methylhex-4-enamide.

Molecular Properties

Compound Name(E)-N-ethoxy-N-methylhex-4-enamide
PubChem CID167292144
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-N-ethoxy-N-methylhex-4-enamide
SMILESC/C=C/CCC(=O)N(C)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-8-9(11)10(3)12-5-2/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyKTDVHEZLGIOLTM-GQCTYLIASA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-ethoxy-N-methylhex-4-enamide?
The IUPAC name of (E)-N-ethoxy-N-methylhex-4-enamide (CID 167292144) is (E)-N-ethoxy-N-methylhex-4-enamide.
What is the SMILES notation for (E)-N-ethoxy-N-methylhex-4-enamide?
The canonical SMILES for (E)-N-ethoxy-N-methylhex-4-enamide is C/C=C/CCC(=O)N(C)OCC.
What is the InChIKey of (E)-N-ethoxy-N-methylhex-4-enamide?
The InChIKey is KTDVHEZLGIOLTM-GQCTYLIASA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-8-9(11)10(3)12-5-2/h4,6H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-N-ethoxy-N-methylhex-4-enamide?
(E)-N-ethoxy-N-methylhex-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-N-methylhex-4-enamide is sourced from PubChem (CID 167292144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).