3-ethoxy-2-methoxy-N-prop-2-enylpropanamide

C9H17NO3 — CID 178011357

IUPAC3-ethoxy-2-methoxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(COCC)OC
InChIInChI=1S/C9H17NO3/c1-4-6-10-9(11)8(12-3)7-13-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyGZPZOIIYJCBHKW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.34
Rot. Bonds7

About 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide

3-ethoxy-2-methoxy-N-prop-2-enylpropanamide (PubChem CID 178011357) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-prop-2-enylpropanamide
PubChem CID178011357
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-ethoxy-2-methoxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(COCC)OC
InChIInChI=1S/C9H17NO3/c1-4-6-10-9(11)8(12-3)7-13-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyGZPZOIIYJCBHKW-UHFFFAOYSA-N
XLogP0.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide?
The IUPAC name of 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide (CID 178011357) is 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide?
The canonical SMILES for 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide is C=CCNC(=O)C(COCC)OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide?
The InChIKey is GZPZOIIYJCBHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-6-10-9(11)8(12-3)7-13-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide?
3-ethoxy-2-methoxy-N-prop-2-enylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 178011357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).