(E)-N-ethoxy-2-methylbut-2-enamide

C7H13NO2 — CID 18785213

IUPAC(E)-N-ethoxy-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NOCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)7(9)8-10-5-2/h4H,5H2,1-3H3,(H,8,9)/b6-4+
InChIKeyURYIGQRMYTYDRD-GQCTYLIASA-N
MW143.19 g/mol
LogP1.02
Rot. Bonds3

About (E)-N-ethoxy-2-methylbut-2-enamide

(E)-N-ethoxy-2-methylbut-2-enamide (PubChem CID 18785213) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (E)-N-ethoxy-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethoxy-2-methylbut-2-enamide
PubChem CID18785213
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(E)-N-ethoxy-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NOCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)7(9)8-10-5-2/h4H,5H2,1-3H3,(H,8,9)/b6-4+
InChIKeyURYIGQRMYTYDRD-GQCTYLIASA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
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)-N-ethoxy-2-methylbut-2-enamide?
The IUPAC name of (E)-N-ethoxy-2-methylbut-2-enamide (CID 18785213) is (E)-N-ethoxy-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-ethoxy-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-ethoxy-2-methylbut-2-enamide is C/C=C(\C)C(=O)NOCC.
What is the InChIKey of (E)-N-ethoxy-2-methylbut-2-enamide?
The InChIKey is URYIGQRMYTYDRD-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(3)7(9)8-10-5-2/h4H,5H2,1-3H3,(H,8,9)/b6-4+.
What are the key properties of (E)-N-ethoxy-2-methylbut-2-enamide?
(E)-N-ethoxy-2-methylbut-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-2-methylbut-2-enamide is sourced from PubChem (CID 18785213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).