2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide

C13H25NO4 — CID 143526863

IUPAC2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)COCCOC)C1CCOCC1
InChIInChI=1S/C13H25NO4/c1-3-6-14(12-4-7-17-8-5-12)13(15)11-18-10-9-16-2/h12H,3-11H2,1-2H3
InChIKeyKXYBPVNETACQBQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.07
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide

2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide (PubChem CID 143526863) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide
PubChem CID143526863
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)COCCOC)C1CCOCC1
InChIInChI=1S/C13H25NO4/c1-3-6-14(12-4-7-17-8-5-12)13(15)11-18-10-9-16-2/h12H,3-11H2,1-2H3
InChIKeyKXYBPVNETACQBQ-UHFFFAOYSA-N
XLogP1.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
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 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide (CID 143526863) is 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide is CCCN(C(=O)COCCOC)C1CCOCC1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide?
The InChIKey is KXYBPVNETACQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-6-14(12-4-7-17-8-5-12)13(15)11-18-10-9-16-2/h12H,3-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide?
2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(oxan-4-yl)-N-propylacetamide is sourced from PubChem (CID 143526863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).