2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide

C32H37ClN2O7 — CID 68958968

About 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide

2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide (PubChem CID 68958968) has the molecular formula C32H37ClN2O7 and a molecular weight of 597.11 g/mol. Its IUPAC name is 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide.

Molecular Properties

• Compound Name: 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide
• PubChem CID: 68958968
• Molecular Formula: C32H37ClN2O7
• Molecular Weight: 597.11 g/mol
• Exact Mass: 596.23
• IUPAC Name: 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide
• SMILES: COc1ccc(COc2ccc(C(=O)NCCO)c(OC[C@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2)cc1
• InChI: InChI=1S/C32H37ClN2O7/c1-39-26-5-2-22(3-6-26)20-40-27-7-8-28(31(38)34-12-15-36)30(17-27)41-21-25(37)19-35-13-10-32(11-14-35)18-23-16-24(33)4-9-29(23)42-32/h2-9,16-17,25,36-37H,10-15,18-21H2,1H3,(H,34,38)/t25-/m1/s1
• InChIKey: WCEUKAFOILCUHQ-RUZDIDTESA-N
• XLogP: 3.86
• TPSA: 109.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.11
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide?

The IUPAC name of 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide (CID 68958968) is 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide.

What is the SMILES notation for 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide?

The canonical SMILES for 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide is COc1ccc(COc2ccc(C(=O)NCCO)c(OC[C@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2)cc1.

What is the InChIKey of 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide?

The InChIKey is WCEUKAFOILCUHQ-RUZDIDTESA-N. The full InChI is InChI=1S/C32H37ClN2O7/c1-39-26-5-2-22(3-6-26)20-40-27-7-8-28(31(38)34-12-15-36)30(17-27)41-21-25(37)19-35-13-10-32(11-14-35)18-23-16-24(33)4-9-29(23)42-32/h2-9,16-17,25,36-37H,10-15,18-21H2,1H3,(H,34,38)/t25-/m1/s1.

What are the key properties of 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide?

2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide has a molecular weight of 597.11 g/mol, XLogP of 3.86, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-(2-hydroxyethyl)-4-[(4-methoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 68958968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).