[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C17H16N4O4 — CID 2366153

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C17H16N4O4/c1-24-13-8-6-12(7-9-13)18-16(22)11-25-17(23)10-21-15-5-3-2-4-14(15)19-20-21/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyDGOGMETZGXHGBG-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.62
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 2366153) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID2366153
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C17H16N4O4/c1-24-13-8-6-12(7-9-13)18-16(22)11-25-17(23)10-21-15-5-3-2-4-14(15)19-20-21/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyDGOGMETZGXHGBG-UHFFFAOYSA-N
XLogP1.62
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 2366153) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is COc1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is DGOGMETZGXHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-24-13-8-6-12(7-9-13)18-16(22)11-25-17(23)10-21-15-5-3-2-4-14(15)19-20-21/h2-9H,10-11H2,1H3,(H,18,22).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 340.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 2366153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).