(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate

C19H18N4O5 — CID 7827724

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCn1nnc2ccccc2c1=O
InChIInChI=1S/C19H18N4O5/c1-27-16-9-5-3-7-14(16)18(25)20-11-10-17(24)28-12-23-19(26)13-6-2-4-8-15(13)21-22-23/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyYIMZGMMQRODPTB-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.12
Rot. Bonds7

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827724) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827724
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCn1nnc2ccccc2c1=O
InChIInChI=1S/C19H18N4O5/c1-27-16-9-5-3-7-14(16)18(25)20-11-10-17(24)28-12-23-19(26)13-6-2-4-8-15(13)21-22-23/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyYIMZGMMQRODPTB-UHFFFAOYSA-N
XLogP1.12
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847816
(4-oxo-1,2,3-benzotriazin-3-yl)methyl pentanoate
CID 23770829
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 3662237
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-methylphenyl)-4-oxobutanoate
CID 3334994
naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827559
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 30907588
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270857
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenoxybutanoate
CID 2548793
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 8-methoxy-2-oxochromene-3-carboxylate
CID 23993990
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,4-dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 25036956

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827724) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccccc1C(=O)NCCC(=O)OCn1nnc2ccccc2c1=O.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is YIMZGMMQRODPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-27-16-9-5-3-7-14(16)18(25)20-11-10-17(24)28-12-23-19(26)13-6-2-4-8-15(13)21-22-23/h2-9H,10-12H2,1H3,(H,20,25).
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 382.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).