3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide

C22H28N2O3 — CID 119691891

About 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide

3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide (PubChem CID 119691891) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

• Compound Name: 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide
• PubChem CID: 119691891
• Molecular Formula: C22H28N2O3
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.21
• IUPAC Name: 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide
• SMILES: CC(C)C(NC(=O)C(C)C(N)c1ccccc1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H28N2O3/c1-14(2)21(17-9-10-18-19(13-17)27-12-11-26-18)24-22(25)15(3)20(23)16-7-5-4-6-8-16/h4-10,13-15,20-21H,11-12,23H2,1-3H3,(H,24,25)
• InChIKey: VFKGRKFGOHDAEN-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 73.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide (CID 119691891) is 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide.

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

The canonical SMILES for 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide is CC(C)C(NC(=O)C(C)C(N)c1ccccc1)c1ccc2c(c1)OCCO2.

What is the InChIKey of 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide?

The InChIKey is VFKGRKFGOHDAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(2)21(17-9-10-18-19(13-17)27-12-11-26-18)24-22(25)15(3)20(23)16-7-5-4-6-8-16/h4-10,13-15,20-21H,11-12,23H2,1-3H3,(H,24,25).

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

3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119691891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).