3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide

C25H24N4O3 — CID 55833867

IUPAC3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)ccc1OC(C)C
InChIInChI=1S/C25H24N4O3/c1-16(2)32-21-14-13-18(15-22(21)31-3)25(30)26-20-12-8-7-11-19(20)24-27-23(28-29-24)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyXNTUJTGLGBYWNP-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.19
Rot. Bonds7

About 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide

3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 55833867) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID55833867
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)ccc1OC(C)C
InChIInChI=1S/C25H24N4O3/c1-16(2)32-21-14-13-18(15-22(21)31-3)25(30)26-20-12-8-7-11-19(20)24-27-23(28-29-24)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyXNTUJTGLGBYWNP-UHFFFAOYSA-N
XLogP5.19
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55990155
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
CID 55991423
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole;3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 66820114
2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55990529
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55991421
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide (CID 55833867) is 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is XNTUJTGLGBYWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16(2)32-21-14-13-18(15-22(21)31-3)25(30)26-20-12-8-7-11-19(20)24-27-23(28-29-24)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,26,30)(H,27,28,29).
What are the key properties of 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide?
3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 428.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 55833867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).