N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide

C11H16N2O4 — CID 58432098

IUPACN,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide
SMILESCOc1ccc(C(OC)C(=O)N(C)OC)cn1
InChIInChI=1S/C11H16N2O4/c1-13(17-4)11(14)10(16-3)8-5-6-9(15-2)12-7-8/h5-7,10H,1-4H3
InChIKeyWIWRKVYUNPQIHJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.80
Rot. Bonds5

About N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide

N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide (PubChem CID 58432098) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound NameN,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide
PubChem CID58432098
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide
SMILESCOc1ccc(C(OC)C(=O)N(C)OC)cn1
InChIInChI=1S/C11H16N2O4/c1-13(17-4)11(14)10(16-3)8-5-6-9(15-2)12-7-8/h5-7,10H,1-4H3
InChIKeyWIWRKVYUNPQIHJ-UHFFFAOYSA-N
XLogP0.80
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-2-(6-methoxy-3-pyridinyl)-N-methylacetamide?
The IUPAC name of N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide (CID 58432098) is N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide.
What is the SMILES notation for N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide?
The canonical SMILES for N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide is COc1ccc(C(OC)C(=O)N(C)OC)cn1.
What is the InChIKey of N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide?
The InChIKey is WIWRKVYUNPQIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-13(17-4)11(14)10(16-3)8-5-6-9(15-2)12-7-8/h5-7,10H,1-4H3.
What are the key properties of N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide?
N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide has a molecular weight of 240.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-2-(6-methoxy-3-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 58432098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).