ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate

C14H16N4O4 — CID 112535456

IUPACethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C14H16N4O4/c1-3-22-13(19)9-18-15-8-12(17-18)16-14(20)10-5-4-6-11(7-10)21-2/h4-8H,3,9H2,1-2H3,(H,16,17,20)
InChIKeyYILIOFITMVUXOW-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.10
Rot. Bonds6

About ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate

ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate (PubChem CID 112535456) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
PubChem CID112535456
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Nameethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
SMILESCCOC(=O)Cn1ncc(NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C14H16N4O4/c1-3-22-13(19)9-18-15-8-12(17-18)16-14(20)10-5-4-6-11(7-10)21-2/h4-8H,3,9H2,1-2H3,(H,16,17,20)
InChIKeyYILIOFITMVUXOW-UHFFFAOYSA-N
XLogP1.10
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
CID 46106932
ethyl 4-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-3-oxobutanoate
CID 19318477
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591
ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930567
N-[3-amino-4-(diethylamino)phenyl]-3-methoxybenzamide
CID 91676464
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate (CID 112535456) is ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate is CCOC(=O)Cn1ncc(NC(=O)c2cccc(OC)c2)n1.
What is the InChIKey of ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate?
The InChIKey is YILIOFITMVUXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-3-22-13(19)9-18-15-8-12(17-18)16-14(20)10-5-4-6-11(7-10)21-2/h4-8H,3,9H2,1-2H3,(H,16,17,20).
What are the key properties of ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate?
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate has a molecular weight of 304.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate is sourced from PubChem (CID 112535456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).