[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C18H20N2O4 — CID 2497885

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H20N2O4/c1-4-23-17-15(6-5-9-19-17)18(22)24-11-16(21)20-14-8-7-12(2)13(3)10-14/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyCBFGMNPUQFYNSA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.89
Rot. Bonds6

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2497885) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2497885
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H20N2O4/c1-4-23-17-15(6-5-9-19-17)18(22)24-11-16(21)20-14-8-7-12(2)13(3)10-14/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyCBFGMNPUQFYNSA-UHFFFAOYSA-N
XLogP2.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497957
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2344631
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798138
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 18198826
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536650
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2497885) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is CBFGMNPUQFYNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-23-17-15(6-5-9-19-17)18(22)24-11-16(21)20-14-8-7-12(2)13(3)10-14/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2497885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).