3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C29H30N2O — CID 20900031

About 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 20900031) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

• Compound Name: 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• PubChem CID: 20900031
• Molecular Formula: C29H30N2O
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.24
• IUPAC Name: 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• SMILES: Cc1ccccc1Cn1cc(CCC(=O)NC2CCCc3ccccc32)c2ccccc21
• InChI: InChI=1S/C29H30N2O/c1-21-9-2-3-11-23(21)19-31-20-24(26-14-6-7-16-28(26)31)17-18-29(32)30-27-15-8-12-22-10-4-5-13-25(22)27/h2-7,9-11,13-14,16,20,27H,8,12,15,17-19H2,1H3,(H,30,32)
• InChIKey: RXCZJUCQZFKKDL-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

The IUPAC name of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 20900031) is 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

What is the SMILES notation for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

The canonical SMILES for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is Cc1ccccc1Cn1cc(CCC(=O)NC2CCCc3ccccc32)c2ccccc21.

What is the InChIKey of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

The InChIKey is RXCZJUCQZFKKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-21-9-2-3-11-23(21)19-31-20-24(26-14-6-7-16-28(26)31)17-18-29(32)30-27-15-8-12-22-10-4-5-13-25(22)27/h2-7,9-11,13-14,16,20,27H,8,12,15,17-19H2,1H3,(H,30,32).

What are the key properties of 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 422.57 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 20900031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).