2,2-diethoxy-N-prop-2-enylacetamide

C9H17NO3 — CID 19376125

IUPAC2,2-diethoxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(OCC)OCC
InChIInChI=1S/C9H17NO3/c1-4-7-10-8(11)9(12-5-2)13-6-3/h4,9H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyXZVGUWURIRPJJG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.69
Rot. Bonds7

About 2,2-diethoxy-N-prop-2-enylacetamide

2,2-diethoxy-N-prop-2-enylacetamide (PubChem CID 19376125) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,2-diethoxy-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2-diethoxy-N-prop-2-enylacetamide
PubChem CID19376125
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2,2-diethoxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(OCC)OCC
InChIInChI=1S/C9H17NO3/c1-4-7-10-8(11)9(12-5-2)13-6-3/h4,9H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyXZVGUWURIRPJJG-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-prop-2-enylacetamide?
The IUPAC name of 2,2-diethoxy-N-prop-2-enylacetamide (CID 19376125) is 2,2-diethoxy-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2-diethoxy-N-prop-2-enylacetamide?
The canonical SMILES for 2,2-diethoxy-N-prop-2-enylacetamide is C=CCNC(=O)C(OCC)OCC.
What is the InChIKey of 2,2-diethoxy-N-prop-2-enylacetamide?
The InChIKey is XZVGUWURIRPJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-7-10-8(11)9(12-5-2)13-6-3/h4,9H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of 2,2-diethoxy-N-prop-2-enylacetamide?
2,2-diethoxy-N-prop-2-enylacetamide has a molecular weight of 187.24 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-prop-2-enylacetamide is sourced from PubChem (CID 19376125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).