4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine

C32H38N2O3 — CID 151018513

About 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine

4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine (PubChem CID 151018513) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine
• PubChem CID: 151018513
• Molecular Formula: C32H38N2O3
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.29
• IUPAC Name: 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine
• SMILES: COc1ccc(-c2[nH]c3ccc(-c4ccc(CCCN5CCOCC5)cc4)cc3c2C(C)C)cc1OC
• InChI: InChI=1S/C32H38N2O3/c1-22(2)31-27-20-25(24-9-7-23(8-10-24)6-5-15-34-16-18-37-19-17-34)11-13-28(27)33-32(31)26-12-14-29(35-3)30(21-26)36-4/h7-14,20-22,33H,5-6,15-19H2,1-4H3
• InChIKey: LXPAYDSLMMQFGG-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 46.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine?

The IUPAC name of 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine (CID 151018513) is 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine.

What is the SMILES notation for 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine?

The canonical SMILES for 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine is COc1ccc(-c2[nH]c3ccc(-c4ccc(CCCN5CCOCC5)cc4)cc3c2C(C)C)cc1OC.

What is the InChIKey of 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine?

The InChIKey is LXPAYDSLMMQFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-22(2)31-27-20-25(24-9-7-23(8-10-24)6-5-15-34-16-18-37-19-17-34)11-13-28(27)33-32(31)26-12-14-29(35-3)30(21-26)36-4/h7-14,20-22,33H,5-6,15-19H2,1-4H3.

What are the key properties of 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine?

4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine has a molecular weight of 498.67 g/mol, XLogP of 6.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine is sourced from PubChem (CID 151018513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).