N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide

C21H22N2O6 — CID 7285809

About N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide

N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7285809) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 7285809
• Molecular Formula: C21H22N2O6
• Molecular Weight: 398.42 g/mol
• Exact Mass: 398.15
• IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
• SMILES: O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C21H22N2O6/c24-21(15-2-4-18-20(10-15)29-13-27-18)22-11-16(23-5-7-25-8-6-23)14-1-3-17-19(9-14)28-12-26-17/h1-4,9-10,16H,5-8,11-13H2,(H,22,24)/t16-/m0/s1
• InChIKey: NGSBBTYWJFBNAO-INIZCTEOSA-N
• XLogP: 1.95
• TPSA: 78.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.42
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide (CID 7285809) is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide is O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc2c(c1)OCO2.

What is the InChIKey of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is NGSBBTYWJFBNAO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O6/c24-21(15-2-4-18-20(10-15)29-13-27-18)22-11-16(23-5-7-25-8-6-23)14-1-3-17-19(9-14)28-12-26-17/h1-4,9-10,16H,5-8,11-13H2,(H,22,24)/t16-/m0/s1.

What are the key properties of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide?

N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7285809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).