2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid

C14H19NO4 — CID 14924483

IUPAC2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid
SMILESCCc1cccc(CC)c1N(COC)C(=O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyMHCYOELBTPOBIU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.83
Rot. Bonds5

About 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid

2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid (PubChem CID 14924483) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid
PubChem CID14924483
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid
SMILESCCc1cccc(CC)c1N(COC)C(=O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyMHCYOELBTPOBIU-UHFFFAOYSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid?
The IUPAC name of 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid (CID 14924483) is 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid.
What is the SMILES notation for 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid?
The canonical SMILES for 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid is CCc1cccc(CC)c1N(COC)C(=O)C(=O)O.
What is the InChIKey of 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid?
The InChIKey is MHCYOELBTPOBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid?
2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid is sourced from PubChem (CID 14924483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).