N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C24H27N3O5 — CID 43022678

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 43022678) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
• PubChem CID: 43022678
• Molecular Formula: C24H27N3O5
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.20
• IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(C)n(Cc2ccco2)c1C
• InChI: InChI=1S/C24H27N3O5/c1-4-26(15-23(28)25-18-7-8-21-22(13-18)32-11-10-31-21)24(29)20-12-16(2)27(17(20)3)14-19-6-5-9-30-19/h5-9,12-13H,4,10-11,14-15H2,1-3H3,(H,25,28)
• InChIKey: JMKCFDBWCVVWRU-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 85.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 43022678) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(C)n(Cc2ccco2)c1C.

What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

The InChIKey is JMKCFDBWCVVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-4-26(15-23(28)25-18-7-8-21-22(13-18)32-11-10-31-21)24(29)20-12-16(2)27(17(20)3)14-19-6-5-9-30-19/h5-9,12-13H,4,10-11,14-15H2,1-3H3,(H,25,28).

What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 43022678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).