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

C15H19N5O3 — CID 112522584

IUPACethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C15H19N5O3/c1-4-23-15(22)18-13-8-16-20(19-13)9-14(21)17-12-7-5-6-10(2)11(12)3/h5-8H,4,9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyOBDQZTBUZIPWRU-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.10
Rot. Bonds5

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

ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112522584) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112522584
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Nameethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C15H19N5O3/c1-4-23-15(22)18-13-8-16-20(19-13)9-14(21)17-12-7-5-6-10(2)11(12)3/h5-8H,4,9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyOBDQZTBUZIPWRU-UHFFFAOYSA-N
XLogP2.10
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522586
ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526366
methyl N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112520625
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
ethyl N-[2-[2-[2-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112523331
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
ethyl N-[2-[2-[[4-(aminomethyl)phenyl]sulfonylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112521966
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate (CID 112522584) is ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is OBDQZTBUZIPWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-4-23-15(22)18-13-8-16-20(19-13)9-14(21)17-12-7-5-6-10(2)11(12)3/h5-8H,4,9H2,1-3H3,(H,17,21)(H,18,19,22).
What are the key properties of ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 317.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112522584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).