[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

C18H19NO4 — CID 7501317

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccc(CO)cc2)c1
InChIInChI=1S/C18H19NO4/c1-2-13-4-3-5-16(10-13)19-17(21)12-23-18(22)15-8-6-14(11-20)7-9-15/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyKXQPUKBSGZSHAF-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.54
Rot. Bonds6

About [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 7501317) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID7501317
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccc(CO)cc2)c1
InChIInChI=1S/C18H19NO4/c1-2-13-4-3-5-16(10-13)19-17(21)12-23-18(22)15-8-6-14(11-20)7-9-15/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyKXQPUKBSGZSHAF-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
[2-(3-ethylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204046
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538421
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2636706
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(4-tert-butylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541303
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55702048
[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 8630914
[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588243
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 7501317) is [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is CCc1cccc(NC(=O)COC(=O)c2ccc(CO)cc2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is KXQPUKBSGZSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-13-4-3-5-16(10-13)19-17(21)12-23-18(22)15-8-6-14(11-20)7-9-15/h3-10,20H,2,11-12H2,1H3,(H,19,21).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 313.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 7501317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).