[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C18H19NO4 — CID 7840630

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCCc1ccccc1NC(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C18H19NO4/c1-3-13-8-4-5-10-15(13)19-16(20)11-23-18(22)14-9-6-7-12(2)17(14)21/h4-10,21H,3,11H2,1-2H3,(H,19,20)
InChIKeyFHYIZNKWQHDOAG-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.06
Rot. Bonds5

About [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 7840630) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID7840630
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCCc1ccccc1NC(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C18H19NO4/c1-3-13-8-4-5-10-15(13)19-16(20)11-23-18(22)14-9-6-7-12(2)17(14)21/h4-10,21H,3,11H2,1-2H3,(H,19,20)
InChIKeyFHYIZNKWQHDOAG-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2496453
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578045
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416041
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2425038
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7483736
[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
[2-(butylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578092

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 7840630) is [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is CCc1ccccc1NC(=O)COC(=O)c1cccc(C)c1O.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is FHYIZNKWQHDOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-13-8-4-5-10-15(13)19-16(20)11-23-18(22)14-9-6-7-12(2)17(14)21/h4-10,21H,3,11H2,1-2H3,(H,19,20).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 313.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 7840630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).