5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C19H23NO5 — CID 87047293

About 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 87047293) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
• PubChem CID: 87047293
• Molecular Formula: C19H23NO5
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.16
• IUPAC Name: 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
• SMILES: COc1cc(C(=O)N(Cc2ccc(C)o2)C(C)C)cc2c1OCCO2
• InChI: InChI=1S/C19H23NO5/c1-12(2)20(11-15-6-5-13(3)25-15)19(21)14-9-16(22-4)18-17(10-14)23-7-8-24-18/h5-6,9-10,12H,7-8,11H2,1-4H3
• InChIKey: BKHHNYLUVYKZJF-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 61.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The IUPAC name of 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 87047293) is 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

What is the SMILES notation for 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The canonical SMILES for 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)N(Cc2ccc(C)o2)C(C)C)cc2c1OCCO2.

What is the InChIKey of 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The InChIKey is BKHHNYLUVYKZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(2)20(11-15-6-5-13(3)25-15)19(21)14-9-16(22-4)18-17(10-14)23-7-8-24-18/h5-6,9-10,12H,7-8,11H2,1-4H3.

What are the key properties of 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 87047293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).