5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide

C20H21N5O2 — CID 167811893

IUPAC5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
SMILESCCNC(=O)Cn1cc(-c2ccc(C)c(C(=O)Nc3ccccc3)c2)nn1
InChIInChI=1S/C20H21N5O2/c1-3-21-19(26)13-25-12-18(23-24-25)15-10-9-14(2)17(11-15)20(27)22-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyXVYSOOUYXBBXTC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.64
Rot. Bonds6

About 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide

5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide (PubChem CID 167811893) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
PubChem CID167811893
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
SMILESCCNC(=O)Cn1cc(-c2ccc(C)c(C(=O)Nc3ccccc3)c2)nn1
InChIInChI=1S/C20H21N5O2/c1-3-21-19(26)13-25-12-18(23-24-25)15-10-9-14(2)17(11-15)20(27)22-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyXVYSOOUYXBBXTC-UHFFFAOYSA-N
XLogP2.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)triazol-4-yl]-N-phenylbenzamide
CID 166310965
2-methyl-N-phenyl-5-[1-(pyridazin-3-ylmethyl)triazol-4-yl]benzamide
CID 166400331
5-[1-[[1-(aminomethyl)cyclopropyl]methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 167960102
5-[1-(3,3-difluoro-4-hydroxybutyl)triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166303990
2-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]-N-phenylbenzamide
CID 166400332
5-[1-[(2S)-2-aminopropyl]triazol-4-yl]-2-methyl-N-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 166355268
2-methyl-N-phenyl-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]benzamide
CID 166398596
5-[1-[(2,2-dimethylpyrrolidin-3-yl)methyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166398627
5-[1-[(2S)-1-acetamidopropan-2-yl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 167977083
(2S)-2-[4-[4-methyl-3-(phenylcarbamoyl)phenyl]triazol-1-yl]propanoic acid
CID 166395575
2-methyl-5-[1-[(5-oxopyrrolidin-3-yl)methyl]triazol-4-yl]-N-phenylbenzamide
CID 166395570
5-[1-[2-(1,4-dioxan-2-yl)ethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166296610

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
The IUPAC name of 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide (CID 167811893) is 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide.
What is the SMILES notation for 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
The canonical SMILES for 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide is CCNC(=O)Cn1cc(-c2ccc(C)c(C(=O)Nc3ccccc3)c2)nn1.
What is the InChIKey of 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
The InChIKey is XVYSOOUYXBBXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-21-19(26)13-25-12-18(23-24-25)15-10-9-14(2)17(11-15)20(27)22-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide?
5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methyl-N-phenylbenzamide is sourced from PubChem (CID 167811893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).