N-ethoxy-2-methylbut-3-enamide

C7H13NO2 — CID 143446399

IUPACN-ethoxy-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)NOCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)7(9)8-10-5-2/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyJGORCKCCSBZVBK-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.88
Rot. Bonds4

About N-ethoxy-2-methylbut-3-enamide

N-ethoxy-2-methylbut-3-enamide (PubChem CID 143446399) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-ethoxy-2-methylbut-3-enamide.

Molecular Properties

Compound NameN-ethoxy-2-methylbut-3-enamide
PubChem CID143446399
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-ethoxy-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)NOCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)7(9)8-10-5-2/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyJGORCKCCSBZVBK-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 N-ethoxy-2-methylbut-3-enamide?
The IUPAC name of N-ethoxy-2-methylbut-3-enamide (CID 143446399) is N-ethoxy-2-methylbut-3-enamide.
What is the SMILES notation for N-ethoxy-2-methylbut-3-enamide?
The canonical SMILES for N-ethoxy-2-methylbut-3-enamide is C=CC(C)C(=O)NOCC.
What is the InChIKey of N-ethoxy-2-methylbut-3-enamide?
The InChIKey is JGORCKCCSBZVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(3)7(9)8-10-5-2/h4,6H,1,5H2,2-3H3,(H,8,9).
What are the key properties of N-ethoxy-2-methylbut-3-enamide?
N-ethoxy-2-methylbut-3-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylbut-3-enamide is sourced from PubChem (CID 143446399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).