ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate

C14H16N4O4 — CID 112535524

IUPACethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C14H16N4O4/c1-2-21-14(20)9-18-15-8-12(17-18)16-13(19)10-22-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,16,17,19)
InChIKeyHKHPMHIGHZBQRT-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.86
Rot. Bonds7

About ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate

ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate (PubChem CID 112535524) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate
PubChem CID112535524
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Nameethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C14H16N4O4/c1-2-21-14(20)9-18-15-8-12(17-18)16-13(19)10-22-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,16,17,19)
InChIKeyHKHPMHIGHZBQRT-UHFFFAOYSA-N
XLogP0.86
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
ethyl 2-[4-(3-pyridin-4-ylpropanoylamino)triazol-2-yl]acetate
CID 112535519
ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
CID 112535446
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029257
ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
CID 19318458
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate (CID 112535524) is ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate is CCOC(=O)Cn1ncc(NC(=O)COc2ccccc2)n1.
What is the InChIKey of ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate?
The InChIKey is HKHPMHIGHZBQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-2-21-14(20)9-18-15-8-12(17-18)16-13(19)10-22-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,16,17,19).
What are the key properties of ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate?
ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate has a molecular weight of 304.31 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate is sourced from PubChem (CID 112535524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).