4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide

C20H21N3O5 — CID 175480235

About 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide

4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide (PubChem CID 175480235) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide
• PubChem CID: 175480235
• Molecular Formula: C20H21N3O5
• Molecular Weight: 383.40 g/mol
• Exact Mass: 383.15
• IUPAC Name: 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2ccc(OCc3ccccn3)c(C(C)(CO)C(N)=O)c2c1C(N)=O
• InChI: InChI=1S/C20H21N3O5/c1-11-15(18(21)25)16-13(28-11)6-7-14(17(16)20(2,10-24)19(22)26)27-9-12-5-3-4-8-23-12/h3-8,24H,9-10H2,1-2H3,(H2,21,25)(H2,22,26)
• InChIKey: FNRMUBGFCJQLCL-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 141.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.40
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?

The IUPAC name of 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide (CID 175480235) is 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccn3)c(C(C)(CO)C(N)=O)c2c1C(N)=O.

What is the InChIKey of 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?

The InChIKey is FNRMUBGFCJQLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-11-15(18(21)25)16-13(28-11)6-7-14(17(16)20(2,10-24)19(22)26)27-9-12-5-3-4-8-23-12/h3-8,24H,9-10H2,1-2H3,(H2,21,25)(H2,22,26).

What are the key properties of 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?

4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).