N,2-dimethoxy-N-methylacetamide

C5H11NO3 — CID 14872187

IUPACN,2-dimethoxy-N-methylacetamide
SMILESCOCC(=O)N(C)OC
InChIInChI=1S/C5H11NO3/c1-6(9-3)5(7)4-8-2/h4H2,1-3H3
InChIKeyYFNOEDJHRRXTRH-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.35
Rot. Bonds3

About N,2-dimethoxy-N-methylacetamide

N,2-dimethoxy-N-methylacetamide (PubChem CID 14872187) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N,2-dimethoxy-N-methylacetamide.

Molecular Properties

Compound NameN,2-dimethoxy-N-methylacetamide
PubChem CID14872187
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN,2-dimethoxy-N-methylacetamide
SMILESCOCC(=O)N(C)OC
InChIInChI=1S/C5H11NO3/c1-6(9-3)5(7)4-8-2/h4H2,1-3H3
InChIKeyYFNOEDJHRRXTRH-UHFFFAOYSA-N
XLogP-0.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
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,2-dimethoxy-N-methylacetamide?
The IUPAC name of N,2-dimethoxy-N-methylacetamide (CID 14872187) is N,2-dimethoxy-N-methylacetamide.
What is the SMILES notation for N,2-dimethoxy-N-methylacetamide?
The canonical SMILES for N,2-dimethoxy-N-methylacetamide is COCC(=O)N(C)OC.
What is the InChIKey of N,2-dimethoxy-N-methylacetamide?
The InChIKey is YFNOEDJHRRXTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(9-3)5(7)4-8-2/h4H2,1-3H3.
What are the key properties of N,2-dimethoxy-N-methylacetamide?
N,2-dimethoxy-N-methylacetamide has a molecular weight of 133.15 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-N-methylacetamide is sourced from PubChem (CID 14872187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).