1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide

C18H26N4O2 — CID 124855679

IUPAC1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide
SMILESCOc1ccc(C[C@@H](C)CNC(=O)c2cn(C(C)(C)C)nn2)cc1
InChIInChI=1S/C18H26N4O2/c1-13(10-14-6-8-15(24-5)9-7-14)11-19-17(23)16-12-22(21-20-16)18(2,3)4/h6-9,12-13H,10-11H2,1-5H3,(H,19,23)/t13-/m1/s1
InChIKeyZMTGMJRPERAYGD-CYBMUJFWSA-N
MW330.43 g/mol
LogP2.65
Rot. Bonds6

About 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide

1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide (PubChem CID 124855679) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide
PubChem CID124855679
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide
SMILESCOc1ccc(C[C@@H](C)CNC(=O)c2cn(C(C)(C)C)nn2)cc1
InChIInChI=1S/C18H26N4O2/c1-13(10-14-6-8-15(24-5)9-7-14)11-19-17(23)16-12-22(21-20-16)18(2,3)4/h6-9,12-13H,10-11H2,1-5H3,(H,19,23)/t13-/m1/s1
InChIKeyZMTGMJRPERAYGD-CYBMUJFWSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 120705474
ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 124927682
1-tert-butyl-N-[2-(1H-indol-2-yl)ethyl]triazole-4-carboxamide
CID 126785743
N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124571320
N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122156338
methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate
CID 175662114
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide
CID 122147349
ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate
CID 139608521

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide (CID 124855679) is 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide is COc1ccc(C[C@@H](C)CNC(=O)c2cn(C(C)(C)C)nn2)cc1.
What is the InChIKey of 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide?
The InChIKey is ZMTGMJRPERAYGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(10-14-6-8-15(24-5)9-7-14)11-19-17(23)16-12-22(21-20-16)18(2,3)4/h6-9,12-13H,10-11H2,1-5H3,(H,19,23)/t13-/m1/s1.
What are the key properties of 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide?
1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 124855679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).