[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate

C18H18N2O5 — CID 8671933

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C18H18N2O5/c1-12(21)19-14-3-2-4-15(10-14)20-17(23)11-25-18(24)9-13-5-7-16(22)8-6-13/h2-8,10,22H,9,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyVGQQUMQYSUIYMF-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.08
Rot. Bonds6

About [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate

[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (PubChem CID 8671933) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
PubChem CID8671933
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C18H18N2O5/c1-12(21)19-14-3-2-4-15(10-14)20-17(23)11-25-18(24)9-13-5-7-16(22)8-6-13/h2-8,10,22H,9,11H2,1H3,(H,19,21)(H,20,23)
InChIKeyVGQQUMQYSUIYMF-UHFFFAOYSA-N
XLogP2.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671886
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608733
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672080
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (CID 8671933) is [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is CC(=O)Nc1cccc(NC(=O)COC(=O)Cc2ccc(O)cc2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The InChIKey is VGQQUMQYSUIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(21)19-14-3-2-4-15(10-14)20-17(23)11-25-18(24)9-13-5-7-16(22)8-6-13/h2-8,10,22H,9,11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate has a molecular weight of 342.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 8671933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).