N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide

C17H23N5O2 — CID 51072889

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-5-21(12-15(23)19-17(2,3)4)16(24)14-11-18-22(20-14)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H,19,23)
InChIKeyKGLJHMHPSBQYCP-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide (PubChem CID 51072889) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
PubChem CID51072889
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-5-21(12-15(23)19-17(2,3)4)16(24)14-11-18-22(20-14)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H,19,23)
InChIKeyKGLJHMHPSBQYCP-UHFFFAOYSA-N
XLogP1.64
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 51075473
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51175226
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
2-[(2-phenyltriazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271201
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
CID 107236595
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-phenyltriazole-4-carboxamide
CID 75440130
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 18118141

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide (CID 51072889) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide?
The InChIKey is KGLJHMHPSBQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-5-21(12-15(23)19-17(2,3)4)16(24)14-11-18-22(20-14)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H,19,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 51072889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).