2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide

C24H37N3O4 — CID 134805068

About 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 134805068) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
• PubChem CID: 134805068
• Molecular Formula: C24H37N3O4
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.28
• IUPAC Name: 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
• SMILES: COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC1CCOCC1)nn2CCC(C)C
• InChI: InChI=1S/C24H37N3O4/c1-17(2)8-11-27-21-7-6-19(16-29-5)14-20(21)22(26-27)31-24(3,4)23(28)25-15-18-9-12-30-13-10-18/h6-7,14,17-18H,8-13,15-16H2,1-5H3,(H,25,28)
• InChIKey: IMOPFFIGBBTGST-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?

The IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide (CID 134805068) is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide.

What is the SMILES notation for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?

The canonical SMILES for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC1CCOCC1)nn2CCC(C)C.

What is the InChIKey of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?

The InChIKey is IMOPFFIGBBTGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-17(2)8-11-27-21-7-6-19(16-29-5)14-20(21)22(26-27)31-24(3,4)23(28)25-15-18-9-12-30-13-10-18/h6-7,14,17-18H,8-13,15-16H2,1-5H3,(H,25,28).

What are the key properties of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 431.58 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 134805068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).