N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide

C32H36N4O4 — CID 57432165

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide (PubChem CID 57432165) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide
• PubChem CID: 57432165
• Molecular Formula: C32H36N4O4
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.27
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide
• SMILES: CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CN(Cc2c(-c3ccccc3)nc3ccccn23)CCO1
• InChI: InChI=1S/C32H36N4O4/c1-23(2)19-35(20-24-11-12-27-28(18-24)40-17-16-39-27)32(37)29-22-34(14-15-38-29)21-26-31(25-8-4-3-5-9-25)33-30-10-6-7-13-36(26)30/h3-13,18,23,29H,14-17,19-22H2,1-2H3
• InChIKey: LUNCCNFZKPBNPC-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 68.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide (CID 57432165) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide is CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CN(Cc2c(-c3ccccc3)nc3ccccn23)CCO1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide?

The InChIKey is LUNCCNFZKPBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O4/c1-23(2)19-35(20-24-11-12-27-28(18-24)40-17-16-39-27)32(37)29-22-34(14-15-38-29)21-26-31(25-8-4-3-5-9-25)33-30-10-6-7-13-36(26)30/h3-13,18,23,29H,14-17,19-22H2,1-2H3.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide has a molecular weight of 540.66 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 57432165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).