5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

C24H25NO5 — CID 19452355

About 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (PubChem CID 19452355) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
• PubChem CID: 19452355
• Molecular Formula: C24H25NO5
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.17
• IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
• SMILES: CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1
• InChI: InChI=1S/C24H25NO5/c1-24(2,3)16-4-7-18(8-5-16)29-15-19-9-11-21(30-19)23(26)25-17-6-10-20-22(14-17)28-13-12-27-20/h4-11,14H,12-13,15H2,1-3H3,(H,25,26)
• InChIKey: MWIBQPGQRGTIIS-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 69.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?

The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (CID 19452355) is 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.

What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?

The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1.

What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?

The InChIKey is MWIBQPGQRGTIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-24(2,3)16-4-7-18(8-5-16)29-15-19-9-11-21(30-19)23(26)25-17-6-10-20-22(14-17)28-13-12-27-20/h4-11,14H,12-13,15H2,1-3H3,(H,25,26).

What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?

5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 19452355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).