3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

C25H25NO6 — CID 91636460

About 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide (PubChem CID 91636460) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide
• PubChem CID: 91636460
• Molecular Formula: C25H25NO6
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.17
• IUPAC Name: 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide
• SMILES: Cc1cc(=O)c(O)c(C(CC(N)=O)c2ccc(OCCc3ccc4c(c3)CCO4)cc2)o1
• InChI: InChI=1S/C25H25NO6/c1-15-12-21(27)24(29)25(32-15)20(14-23(26)28)17-3-5-19(6-4-17)30-10-8-16-2-7-22-18(13-16)9-11-31-22/h2-7,12-13,20,29H,8-11,14H2,1H3,(H2,26,28)
• InChIKey: MWWDSKVYPLQVPA-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 111.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide?

The IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide (CID 91636460) is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide.

What is the SMILES notation for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide?

The canonical SMILES for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide is Cc1cc(=O)c(O)c(C(CC(N)=O)c2ccc(OCCc3ccc4c(c3)CCO4)cc2)o1.

What is the InChIKey of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide?

The InChIKey is MWWDSKVYPLQVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-15-12-21(27)24(29)25(32-15)20(14-23(26)28)17-3-5-19(6-4-17)30-10-8-16-2-7-22-18(13-16)9-11-31-22/h2-7,12-13,20,29H,8-11,14H2,1H3,(H2,26,28).

What are the key properties of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide?

3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide has a molecular weight of 435.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide is sourced from PubChem (CID 91636460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).