3-ethoxy-N,N-diethylpropanamide

C9H19NO2 — CID 63184708

IUPAC3-ethoxy-N,N-diethylpropanamide
SMILESCCOCCC(=O)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-4-10(5-2)9(11)7-8-12-6-3/h4-8H2,1-3H3
InChIKeySLYRAGBOHJJNNZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds6

About 3-ethoxy-N,N-diethylpropanamide

3-ethoxy-N,N-diethylpropanamide (PubChem CID 63184708) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-ethoxy-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-ethoxy-N,N-diethylpropanamide
PubChem CID63184708
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-ethoxy-N,N-diethylpropanamide
SMILESCCOCCC(=O)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-4-10(5-2)9(11)7-8-12-6-3/h4-8H2,1-3H3
InChIKeySLYRAGBOHJJNNZ-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-diethylpropanamide?
The IUPAC name of 3-ethoxy-N,N-diethylpropanamide (CID 63184708) is 3-ethoxy-N,N-diethylpropanamide.
What is the SMILES notation for 3-ethoxy-N,N-diethylpropanamide?
The canonical SMILES for 3-ethoxy-N,N-diethylpropanamide is CCOCCC(=O)N(CC)CC.
What is the InChIKey of 3-ethoxy-N,N-diethylpropanamide?
The InChIKey is SLYRAGBOHJJNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-10(5-2)9(11)7-8-12-6-3/h4-8H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-diethylpropanamide?
3-ethoxy-N,N-diethylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-diethylpropanamide is sourced from PubChem (CID 63184708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).