N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide

C18H18N4O4 — CID 23793580

IUPACN-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
SMILESCOC(CNC(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1)OC
InChIInChI=1S/C18H18N4O4/c1-25-16(26-2)11-19-17(23)12-7-9-13(10-8-12)22-18(24)14-5-3-4-6-15(14)20-21-22/h3-10,16H,11H2,1-2H3,(H,19,23)
InChIKeyTYTDBCNLVCVWSL-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.13
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide

N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide (PubChem CID 23793580) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
PubChem CID23793580
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
SMILESCOC(CNC(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1)OC
InChIInChI=1S/C18H18N4O4/c1-25-16(26-2)11-19-17(23)12-7-9-13(10-8-12)22-18(24)14-5-3-4-6-15(14)20-21-22/h3-10,16H,11H2,1-2H3,(H,19,23)
InChIKeyTYTDBCNLVCVWSL-UHFFFAOYSA-N
XLogP1.13
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
CID 45495848
3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
CID 2806547
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-methyltriazole-4-carboxamide
CID 46858303
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 22589914
1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)benzoyl]piperidine-4-carboxamide
CID 22589921
N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006832
4-acetamido-N-(2,2-dimethoxyethyl)benzamide
CID 110463963
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 31141116
N-[(4-fluorophenyl)methyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 23770253
N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 129359778

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide (CID 23793580) is N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide is COC(CNC(=O)c1ccc(-n2nnc3ccccc3c2=O)cc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide?
The InChIKey is TYTDBCNLVCVWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-25-16(26-2)11-19-17(23)12-7-9-13(10-8-12)22-18(24)14-5-3-4-6-15(14)20-21-22/h3-10,16H,11H2,1-2H3,(H,19,23).
What are the key properties of N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide?
N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide has a molecular weight of 354.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide is sourced from PubChem (CID 23793580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).