N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide

C26H25NO3 — CID 18290678

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide (PubChem CID 18290678) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide
• PubChem CID: 18290678
• Molecular Formula: C26H25NO3
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.18
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide
• SMILES: Cc1cc(C)cc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c1
• InChI: InChI=1S/C26H25NO3/c1-19-15-20(2)17-22(16-19)26(28)27(12-6-9-21-7-4-3-5-8-21)23-10-11-24-25(18-23)30-14-13-29-24/h3-11,15-18H,12-14H2,1-2H3/b9-6+
• InChIKey: WJYNYQRFHWDBDU-RMKNXTFCSA-N
• XLogP: 5.43
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide (CID 18290678) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide is Cc1cc(C)cc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide?

The InChIKey is WJYNYQRFHWDBDU-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H25NO3/c1-19-15-20(2)17-22(16-19)26(28)27(12-6-9-21-7-4-3-5-8-21)23-10-11-24-25(18-23)30-14-13-29-24/h3-11,15-18H,12-14H2,1-2H3/b9-6+.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 18290678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).