N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide

C20H21N5O2 — CID 51175226

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-15-9-7-8-12-17(15)22-19(26)14-24(2)20(27)18-13-21-25(23-18)16-10-5-4-6-11-16/h4-13H,3,14H2,1-2H3,(H,22,26)
InChIKeyUEIDRTXRDRJLFA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 51175226) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide
PubChem CID51175226
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-15-9-7-8-12-17(15)22-19(26)14-24(2)20(27)18-13-21-25(23-18)16-10-5-4-6-11-16/h4-13H,3,14H2,1-2H3,(H,22,26)
InChIKeyUEIDRTXRDRJLFA-UHFFFAOYSA-N
XLogP2.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-ethylphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17460948
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N-(2-ethylphenyl)-2-[methyl-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 2525782
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688394
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51335183
1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 55332885

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide (CID 51175226) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is UEIDRTXRDRJLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-15-9-7-8-12-17(15)22-19(26)14-24(2)20(27)18-13-21-25(23-18)16-10-5-4-6-11-16/h4-13H,3,14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 51175226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).