ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate

C15H19N5O5 — CID 112521547

IUPACethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H19N5O5/c1-4-25-15(22)18-13-8-16-20(19-13)9-14(21)17-10-5-6-11(23-2)12(7-10)24-3/h5-8H,4,9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyKZKOUKFSHJMLPO-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.50
Rot. Bonds7

About ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112521547) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112521547
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Nameethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H19N5O5/c1-4-25-15(22)18-13-8-16-20(19-13)9-14(21)17-10-5-6-11(23-2)12(7-10)24-3/h5-8H,4,9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyKZKOUKFSHJMLPO-UHFFFAOYSA-N
XLogP1.50
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 112521529
ethyl N-[2-[2-[2-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112523331
ethyl N-[2-[2-(1,3-benzothiazol-6-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525808
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
methyl N-[2-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527416
ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524871

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate (CID 112521547) is ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is KZKOUKFSHJMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-4-25-15(22)18-13-8-16-20(19-13)9-14(21)17-10-5-6-11(23-2)12(7-10)24-3/h5-8H,4,9H2,1-3H3,(H,17,21)(H,18,19,22).
What are the key properties of ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 349.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112521547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).