2-ethoxy-N-ethyl-N-prop-2-ynylacetamide

C9H15NO2 — CID 78970728

IUPAC2-ethoxy-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)COCC
InChIInChI=1S/C9H15NO2/c1-4-7-10(5-2)9(11)8-12-6-3/h1H,5-8H2,2-3H3
InChIKeyYBUVLOUKPIIGSY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.50
Rot. Bonds5

About 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide

2-ethoxy-N-ethyl-N-prop-2-ynylacetamide (PubChem CID 78970728) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-prop-2-ynylacetamide
PubChem CID78970728
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-ethoxy-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)COCC
InChIInChI=1S/C9H15NO2/c1-4-7-10(5-2)9(11)8-12-6-3/h1H,5-8H2,2-3H3
InChIKeyYBUVLOUKPIIGSY-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide
CID 78925629
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
N,N-bis(cyanomethyl)-2-ethoxyacetamide
CID 4187434
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
CID 78970322
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970866
N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
CID 78970730
1-ethyl-3-propyl-1-prop-2-ynylurea
CID 78970040

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide (CID 78970728) is 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide is C#CCN(CC)C(=O)COCC.
What is the InChIKey of 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide?
The InChIKey is YBUVLOUKPIIGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-7-10(5-2)9(11)8-12-6-3/h1H,5-8H2,2-3H3.
What are the key properties of 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide?
2-ethoxy-N-ethyl-N-prop-2-ynylacetamide has a molecular weight of 169.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78970728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).