N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide

C23H25N3O4 — CID 27833488

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide (PubChem CID 27833488) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide
• PubChem CID: 27833488
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1c[nH]c2ccccc12
• InChI: InChI=1S/C23H25N3O4/c1-2-26(23(28)10-7-16-14-24-19-6-4-3-5-18(16)19)15-22(27)25-17-8-9-20-21(13-17)30-12-11-29-20/h3-6,8-9,13-14,24H,2,7,10-12,15H2,1H3,(H,25,27)
• InChIKey: SBWORQQUKYTZME-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 83.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide?

The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide (CID 27833488) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide?

The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1c[nH]c2ccccc12.

What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide?

The InChIKey is SBWORQQUKYTZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-26(23(28)10-7-16-14-24-19-6-4-3-5-18(16)19)15-22(27)25-17-8-9-20-21(13-17)30-12-11-29-20/h3-6,8-9,13-14,24H,2,7,10-12,15H2,1H3,(H,25,27).

What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide?

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 407.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 27833488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).