2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

C26H29N5O4 — CID 46268358

About 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide (PubChem CID 46268358) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
• PubChem CID: 46268358
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
• SMILES: Cc1ccc(NC(=O)COc2c(C)cccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1
• InChI: InChI=1S/C26H29N5O4/c1-16(2)30-15-27-26-29-21(12-24(33)31(26)30)13-34-22-11-20(10-9-17(22)3)28-23(32)14-35-25-18(4)7-6-8-19(25)5/h6-12,15-16H,13-14H2,1-5H3,(H,28,32)
• InChIKey: XRFXRQXQDATLDC-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide (CID 46268358) is 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide.

What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide is Cc1ccc(NC(=O)COc2c(C)cccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1.

What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

The InChIKey is XRFXRQXQDATLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-16(2)30-15-27-26-29-21(12-24(33)31(26)30)13-34-22-11-20(10-9-17(22)3)28-23(32)14-35-25-18(4)7-6-8-19(25)5/h6-12,15-16H,13-14H2,1-5H3,(H,28,32).

What are the key properties of 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide?

2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide has a molecular weight of 475.55 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenoxy)-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 46268358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).