2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide

C17H18N4O3 — CID 121349721

IUPAC2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide
SMILESCOc1ccccc1CN1NN(CC(N)=O)C(=O)c2ccccc21
InChIInChI=1S/C17H18N4O3/c1-24-15-9-5-2-6-12(15)10-20-14-8-4-3-7-13(14)17(23)21(19-20)11-16(18)22/h2-9,19H,10-11H2,1H3,(H2,18,22)
InChIKeySOTDADLHYWBWAR-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.06
Rot. Bonds5

About 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide

2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide (PubChem CID 121349721) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide
PubChem CID121349721
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide
SMILESCOc1ccccc1CN1NN(CC(N)=O)C(=O)c2ccccc21
InChIInChI=1S/C17H18N4O3/c1-24-15-9-5-2-6-12(15)10-20-14-8-4-3-7-13(14)17(23)21(19-20)11-16(18)22/h2-9,19H,10-11H2,1H3,(H2,18,22)
InChIKeySOTDADLHYWBWAR-UHFFFAOYSA-N
XLogP1.06
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide (CID 121349721) is 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide is COc1ccccc1CN1NN(CC(N)=O)C(=O)c2ccccc21.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide?
The InChIKey is SOTDADLHYWBWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-15-9-5-2-6-12(15)10-20-14-8-4-3-7-13(14)17(23)21(19-20)11-16(18)22/h2-9,19H,10-11H2,1H3,(H2,18,22).
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide?
2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]-4-oxo-2H-1,2,3-benzotriazin-3-yl]acetamide is sourced from PubChem (CID 121349721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).