1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide

C25H31N3O5 — CID 24647042

About 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 24647042) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 24647042
• Molecular Formula: C25H31N3O5
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.23
• IUPAC Name: 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
• SMILES: COc1ccc(C(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)N2CCOCC2)cc1OC
• InChI: InChI=1S/C25H31N3O5/c1-17(29)28-9-8-19-14-20(4-6-21(19)28)25(30)26-16-22(27-10-12-33-13-11-27)18-5-7-23(31-2)24(15-18)32-3/h4-7,14-15,22H,8-13,16H2,1-3H3,(H,26,30)
• InChIKey: GPYQQGOCUIRFTN-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide?

The IUPAC name of 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide (CID 24647042) is 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide is COc1ccc(C(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)N2CCOCC2)cc1OC.

What is the InChIKey of 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide?

The InChIKey is GPYQQGOCUIRFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-17(29)28-9-8-19-14-20(4-6-21(19)28)25(30)26-16-22(27-10-12-33-13-11-27)18-5-7-23(31-2)24(15-18)32-3/h4-7,14-15,22H,8-13,16H2,1-3H3,(H,26,30).

What are the key properties of 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide?

1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 24647042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).