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

C24H25NO5 — CID 55997594

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 55997594) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 55997594
• Molecular Formula: C24H25NO5
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.17
• IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(OCc2ccc(C(=O)NC(C)c3ccc4c(c3)OCCO4)o2)c(C)c1
• InChI: InChI=1S/C24H25NO5/c1-15-4-7-20(16(2)12-15)29-14-19-6-9-22(30-19)24(26)25-17(3)18-5-8-21-23(13-18)28-11-10-27-21/h4-9,12-13,17H,10-11,14H2,1-3H3,(H,25,26)
• InChIKey: ATPCIGRPEJUSDA-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 69.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide (CID 55997594) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NC(C)c3ccc4c(c3)OCCO4)o2)c(C)c1.

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

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

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55997594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).