methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate

C14H17N5O3 — CID 112524017

IUPACmethyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCc1ccccc1NC(=O)Cn1cc(NC(=O)OC)nn1
InChIInChI=1S/C14H17N5O3/c1-3-10-6-4-5-7-11(10)15-13(20)9-19-8-12(17-18-19)16-14(21)22-2/h4-8H,3,9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyADVPLHKCBXYKMX-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.66
Rot. Bonds5

About methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate

methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112524017) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112524017
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Namemethyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCc1ccccc1NC(=O)Cn1cc(NC(=O)OC)nn1
InChIInChI=1S/C14H17N5O3/c1-3-10-6-4-5-7-11(10)15-13(20)9-19-8-12(17-18-19)16-14(21)22-2/h4-8H,3,9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyADVPLHKCBXYKMX-UHFFFAOYSA-N
XLogP1.66
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527007
methyl N-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526672
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
ethyl N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525340
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
CID 115459058
ethyl N-[1-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523159
ethyl N-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate (CID 112524017) is methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate is CCc1ccccc1NC(=O)Cn1cc(NC(=O)OC)nn1.
What is the InChIKey of methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is ADVPLHKCBXYKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-3-10-6-4-5-7-11(10)15-13(20)9-19-8-12(17-18-19)16-14(21)22-2/h4-8H,3,9H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate?
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112524017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).