ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate

C15H18N4O4 — CID 112535554

IUPACethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(NC(=O)c2ccc(OC)c(C)c2)nn1
InChIInChI=1S/C15H18N4O4/c1-4-23-14(20)9-19-8-13(17-18-19)16-15(21)11-5-6-12(22-3)10(2)7-11/h5-8H,4,9H2,1-3H3,(H,16,21)
InChIKeyVZOTUZYBOXXELF-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.41
Rot. Bonds6

About ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate

ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate (PubChem CID 112535554) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate
PubChem CID112535554
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Nameethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(NC(=O)c2ccc(OC)c(C)c2)nn1
InChIInChI=1S/C15H18N4O4/c1-4-23-14(20)9-19-8-13(17-18-19)16-15(21)11-5-6-12(22-3)10(2)7-11/h5-8H,4,9H2,1-3H3,(H,16,21)
InChIKeyVZOTUZYBOXXELF-UHFFFAOYSA-N
XLogP1.41
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-[(2,4-dimethylbenzoyl)amino]triazol-1-yl]acetate
CID 112535556
ethyl 2-[4-[(2,3,4-trifluorobenzoyl)amino]triazol-1-yl]acetate
CID 84582602
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate (CID 112535554) is ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate is CCOC(=O)Cn1cc(NC(=O)c2ccc(OC)c(C)c2)nn1.
What is the InChIKey of ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate?
The InChIKey is VZOTUZYBOXXELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-4-23-14(20)9-19-8-13(17-18-19)16-15(21)11-5-6-12(22-3)10(2)7-11/h5-8H,4,9H2,1-3H3,(H,16,21).
What are the key properties of ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate?
ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate has a molecular weight of 318.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-methoxy-3-methylbenzoyl)amino]triazol-1-yl]acetate is sourced from PubChem (CID 112535554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).