N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide

C27H23NO4 — CID 18204488

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide (PubChem CID 18204488) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide
• PubChem CID: 18204488
• Molecular Formula: C27H23NO4
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)oc2ccccc12
• InChI: InChI=1S/C27H23NO4/c1-19-22-11-5-6-12-23(22)32-26(19)27(29)28(15-7-10-20-8-3-2-4-9-20)21-13-14-24-25(18-21)31-17-16-30-24/h2-14,18H,15-17H2,1H3/b10-7+
• InChIKey: GNASTOJUMJYZCI-JXMROGBWSA-N
• XLogP: 5.87
• TPSA: 51.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide (CID 18204488) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)oc2ccccc12.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide?

The InChIKey is GNASTOJUMJYZCI-JXMROGBWSA-N. The full InChI is InChI=1S/C27H23NO4/c1-19-22-11-5-6-12-23(22)32-26(19)27(29)28(15-7-10-20-8-3-2-4-9-20)21-13-14-24-25(18-21)31-17-16-30-24/h2-14,18H,15-17H2,1H3/b10-7+.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18204488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).