N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide

C26H34N2O4 — CID 132713605

About N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide

N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 132713605) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
• PubChem CID: 132713605
• Molecular Formula: C26H34N2O4
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.25
• IUPAC Name: N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
• SMILES: CCC(C)NC(=O)C(C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C26H34N2O4/c1-5-19(3)27-26(30)20(4)28(17-22-9-7-6-8-18(22)2)25(29)13-11-21-10-12-23-24(16-21)32-15-14-31-23/h6-10,12,16,19-20H,5,11,13-15,17H2,1-4H3,(H,27,30)
• InChIKey: FEWIUBGNSPVWBQ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?

The IUPAC name of N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide (CID 132713605) is N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide.

What is the SMILES notation for N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?

The canonical SMILES for N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide is CCC(C)NC(=O)C(C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2.

What is the InChIKey of N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?

The InChIKey is FEWIUBGNSPVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-5-19(3)27-26(30)20(4)28(17-22-9-7-6-8-18(22)2)25(29)13-11-21-10-12-23-24(16-21)32-15-14-31-23/h6-10,12,16,19-20H,5,11,13-15,17H2,1-4H3,(H,27,30).

What are the key properties of N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?

N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 438.57 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132713605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).