[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate

C19H22N2O4 — CID 4215262

IUPAC[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OC(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C19H22N2O4/c1-4-14-8-10-15(11-9-14)21-17(22)13(3)25-19(23)16-7-6-12-20-18(16)24-5-2/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyGOIPKCPSTWLNBA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.23
Rot. Bonds7

About [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate

[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate (PubChem CID 4215262) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
PubChem CID4215262
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OC(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C19H22N2O4/c1-4-14-8-10-15(11-9-14)21-17(22)13(3)25-19(23)16-7-6-12-20-18(16)24-5-2/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyGOIPKCPSTWLNBA-UHFFFAOYSA-N
XLogP3.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate (CID 4215262) is [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OC(C)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is GOIPKCPSTWLNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-14-8-10-15(11-9-14)21-17(22)13(3)25-19(23)16-7-6-12-20-18(16)24-5-2/h6-13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 4215262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).