3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C10H19NO4 — CID 103848959

IUPAC3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCCOCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO4/c1-2-14-5-3-9(12)11-7-10(13)4-6-15-8-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyHXEDCUPUZGQNLI-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.32
Rot. Bonds6

About 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103848959) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103848959
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCCOCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO4/c1-2-14-5-3-9(12)11-7-10(13)4-6-15-8-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyHXEDCUPUZGQNLI-UHFFFAOYSA-N
XLogP-0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103848959) is 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is CCOCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is HXEDCUPUZGQNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-14-5-3-9(12)11-7-10(13)4-6-15-8-10/h13H,2-8H2,1H3,(H,11,12).
What are the key properties of 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 217.26 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103848959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).