N-ethoxy-2-(oxetan-3-yl)acetamide

C7H13NO3 — CID 131222947

IUPACN-ethoxy-2-(oxetan-3-yl)acetamide
SMILESCCONC(=O)CC1COC1
InChIInChI=1S/C7H13NO3/c1-2-11-8-7(9)3-6-4-10-5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyFXGVTCFOCNEUAN-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.09
Rot. Bonds4

About N-ethoxy-2-(oxetan-3-yl)acetamide

N-ethoxy-2-(oxetan-3-yl)acetamide (PubChem CID 131222947) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-ethoxy-2-(oxetan-3-yl)acetamide.

Molecular Properties

Compound NameN-ethoxy-2-(oxetan-3-yl)acetamide
PubChem CID131222947
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-ethoxy-2-(oxetan-3-yl)acetamide
SMILESCCONC(=O)CC1COC1
InChIInChI=1S/C7H13NO3/c1-2-11-8-7(9)3-6-4-10-5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyFXGVTCFOCNEUAN-UHFFFAOYSA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(oxetan-3-yl)acetamide?
The IUPAC name of N-ethoxy-2-(oxetan-3-yl)acetamide (CID 131222947) is N-ethoxy-2-(oxetan-3-yl)acetamide.
What is the SMILES notation for N-ethoxy-2-(oxetan-3-yl)acetamide?
The canonical SMILES for N-ethoxy-2-(oxetan-3-yl)acetamide is CCONC(=O)CC1COC1.
What is the InChIKey of N-ethoxy-2-(oxetan-3-yl)acetamide?
The InChIKey is FXGVTCFOCNEUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-8-7(9)3-6-4-10-5-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of N-ethoxy-2-(oxetan-3-yl)acetamide?
N-ethoxy-2-(oxetan-3-yl)acetamide has a molecular weight of 159.18 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(oxetan-3-yl)acetamide is sourced from PubChem (CID 131222947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).