[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate

C20H20N4O5 — CID 55441298

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C20H20N4O5/c1-23(11-14-7-3-6-10-17(14)28-2)18(25)13-29-19(26)12-24-20(27)15-8-4-5-9-16(15)21-22-24/h3-10H,11-13H2,1-2H3
InChIKeyLMMUXGGUQZEKAX-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.00
Rot. Bonds7

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate (PubChem CID 55441298) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
PubChem CID55441298
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C20H20N4O5/c1-23(11-14-7-3-6-10-17(14)28-2)18(25)13-29-19(26)12-24-20(27)15-8-4-5-9-16(15)21-22-24/h3-10H,11-13H2,1-2H3
InChIKeyLMMUXGGUQZEKAX-UHFFFAOYSA-N
XLogP1.00
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate with MolForge

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Related Compounds

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 55449254
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55358100
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 27039259
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 30907588
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 55368172
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27795536
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7889038
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38227876
N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 86829861
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17441684
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7433817

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate (CID 55441298) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate is COc1ccccc1CN(C)C(=O)COC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The InChIKey is LMMUXGGUQZEKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-23(11-14-7-3-6-10-17(14)28-2)18(25)13-29-19(26)12-24-20(27)15-8-4-5-9-16(15)21-22-24/h3-10H,11-13H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate has a molecular weight of 396.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate is sourced from PubChem (CID 55441298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).