3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide

C18H21NO4 — CID 97237836

About 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide

3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide (PubChem CID 97237836) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide
• PubChem CID: 97237836
• Molecular Formula: C18H21NO4
• Molecular Weight: 315.37 g/mol
• Exact Mass: 315.15
• IUPAC Name: 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide
• SMILES: COc1cc2c(cc1CNC(=O)CCc1ccco1)O[C@H](C)C2
• InChI: InChI=1S/C18H21NO4/c1-12-8-13-9-16(21-2)14(10-17(13)23-12)11-19-18(20)6-5-15-4-3-7-22-15/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3,(H,19,20)/t12-/m1/s1
• InChIKey: VPWWCCLZZFIKPW-GFCCVEGCSA-N
• XLogP: 2.86
• TPSA: 60.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.37
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?

The IUPAC name of 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide (CID 97237836) is 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide.

What is the SMILES notation for 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?

The canonical SMILES for 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide is COc1cc2c(cc1CNC(=O)CCc1ccco1)O[C@H](C)C2.

What is the InChIKey of 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?

The InChIKey is VPWWCCLZZFIKPW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-8-13-9-16(21-2)14(10-17(13)23-12)11-19-18(20)6-5-15-4-3-7-22-15/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3,(H,19,20)/t12-/m1/s1.

What are the key properties of 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?

3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide is sourced from PubChem (CID 97237836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).