2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide

C26H34N4O4 — CID 169248043

IUPAC2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide
SMILESCCC(C)Oc1ccc(C(C)(C)C)cc1C(=O)Nc1nnn(-c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C26H34N4O4/c1-9-16(2)34-22-12-10-18(26(4,5)6)14-20(22)25(31)27-24-17(3)30(29-28-24)21-15-19(32-7)11-13-23(21)33-8/h10-16H,9H2,1-8H3,(H,27,31)
InChIKeyXDQJGDJHIFBUFK-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.32
Rot. Bonds8

About 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide

2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide (PubChem CID 169248043) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide.

Molecular Properties

Compound Name2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide
PubChem CID169248043
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide
SMILESCCC(C)Oc1ccc(C(C)(C)C)cc1C(=O)Nc1nnn(-c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C26H34N4O4/c1-9-16(2)34-22-12-10-18(26(4,5)6)14-20(22)25(31)27-24-17(3)30(29-28-24)21-15-19(32-7)11-13-23(21)33-8/h10-16H,9H2,1-8H3,(H,27,31)
InChIKeyXDQJGDJHIFBUFK-UHFFFAOYSA-N
XLogP5.32
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-tert-butyl-2-(4-methylpentan-2-yloxy)phenyl]-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 177261399
N-[5-tert-butyl-2-(3-methylbutoxy)phenyl]-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 169247972
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzenesulfonamide
CID 169248063
[4-tert-butyl-2-[[1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl] 1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxylate
CID 169247962
1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
CID 169248346
4-(4-tert-butyl-2-methylphenyl)sulfonyl-1-(2,5-dimethoxyphenyl)-5-methyltriazole
CID 160604411
N-[3-tert-butyl-5-(methylamino)phenyl]-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 169248314
N-(3-tert-butylbenzene-5-id-1-yl)-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide;rhenium
CID 169257289
2-[3-tert-butyl-5-[[1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carbonyl]amino]phenoxy]acetic acid
CID 169248247
5-(4-tert-butylphenyl)sulfonyl-3-(2,5-dimethoxyphenyl)-N,N-diethyltriazol-4-amine
CID 130472111
4-tert-butyl-N-[[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]-hydroxymethyl]benzenesulfonamide
CID 169248099
N-[3-tert-butyl-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 169248000

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide?
The IUPAC name of 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide (CID 169248043) is 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide.
What is the SMILES notation for 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide?
The canonical SMILES for 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide is CCC(C)Oc1ccc(C(C)(C)C)cc1C(=O)Nc1nnn(-c2cc(OC)ccc2OC)c1C.
What is the InChIKey of 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide?
The InChIKey is XDQJGDJHIFBUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-9-16(2)34-22-12-10-18(26(4,5)6)14-20(22)25(31)27-24-17(3)30(29-28-24)21-15-19(32-7)11-13-23(21)33-8/h10-16H,9H2,1-8H3,(H,27,31).
What are the key properties of 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide?
2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide has a molecular weight of 466.58 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide is sourced from PubChem (CID 169248043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).