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

C17H16N4O3 — CID 772663

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-24-13-8-6-12(7-9-13)10-18-16(22)11-21-17(23)14-4-2-3-5-15(14)19-20-21/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyCKJQGSAWPYXNTJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.12
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 772663) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID772663
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-24-13-8-6-12(7-9-13)10-18-16(22)11-21-17(23)14-4-2-3-5-15(14)19-20-21/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyCKJQGSAWPYXNTJ-UHFFFAOYSA-N
XLogP1.12
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
Tak-041
CID 121349608
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
CID 10572854
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
4'-Methoxycyclopeptin
CID 102515481
methyl 2-{[N-(4-methoxybenzoyl)glycyl]amino}benzoate
CID 2236601
3-[2-(4-Ethoxyphenoxy)ethyl]-1,2,3-benzotriazin-4-one
CID 2478156
2-[(4-Methoxybenzoyl)amino]benzamide
CID 819664
2-amino-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 1991468
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831
2-[(4-methoxybenzoyl)amino]-N-[2-(4-morpholinyl)ethyl]benzamide
CID 1316451

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 772663) is N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is COc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is CKJQGSAWPYXNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-24-13-8-6-12(7-9-13)10-18-16(22)11-21-17(23)14-4-2-3-5-15(14)19-20-21/h2-9H,10-11H2,1H3,(H,18,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 772663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).