3-ethoxy-N-(oxolan-2-ylmethyl)propanamide

C10H19NO3 — CID 2973313

IUPAC3-ethoxy-N-(oxolan-2-ylmethyl)propanamide
SMILESCCOCCC(=O)NCC1CCCO1
InChIInChI=1S/C10H19NO3/c1-2-13-7-5-10(12)11-8-9-4-3-6-14-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyFXAADVKODGDGLV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds6

About 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide

3-ethoxy-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2973313) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2973313
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-ethoxy-N-(oxolan-2-ylmethyl)propanamide
SMILESCCOCCC(=O)NCC1CCCO1
InChIInChI=1S/C10H19NO3/c1-2-13-7-5-10(12)11-8-9-4-3-6-14-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyFXAADVKODGDGLV-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide (CID 2973313) is 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide is CCOCCC(=O)NCC1CCCO1.
What is the InChIKey of 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is FXAADVKODGDGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-13-7-5-10(12)11-8-9-4-3-6-14-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide?
3-ethoxy-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 201.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2973313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).