N-(2,2-diethoxyethyl)acetamide

C8H17NO3 — CID 14549804

IUPACN-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(C)=O)OCC
InChIInChI=1S/C8H17NO3/c1-4-11-8(12-5-2)6-9-7(3)10/h8H,4-6H2,1-3H3,(H,9,10)
InChIKeyGZDYCKLIQUPOIR-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.52
Rot. Bonds6

About N-(2,2-diethoxyethyl)acetamide

N-(2,2-diethoxyethyl)acetamide (PubChem CID 14549804) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)acetamide
PubChem CID14549804
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(C)=O)OCC
InChIInChI=1S/C8H17NO3/c1-4-11-8(12-5-2)6-9-7(3)10/h8H,4-6H2,1-3H3,(H,9,10)
InChIKeyGZDYCKLIQUPOIR-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)acetamide?
The IUPAC name of N-(2,2-diethoxyethyl)acetamide (CID 14549804) is N-(2,2-diethoxyethyl)acetamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)acetamide?
The canonical SMILES for N-(2,2-diethoxyethyl)acetamide is CCOC(CNC(C)=O)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)acetamide?
The InChIKey is GZDYCKLIQUPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-11-8(12-5-2)6-9-7(3)10/h8H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2,2-diethoxyethyl)acetamide?
N-(2,2-diethoxyethyl)acetamide has a molecular weight of 175.23 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)acetamide is sourced from PubChem (CID 14549804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).