3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide

C32H38N2O3 — CID 90488594

About 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide

3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (PubChem CID 90488594) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• PubChem CID: 90488594
• Molecular Formula: C32H38N2O3
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.29
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• SMILES: COCCNC(=O)CC(c1ccc(C(C)(C)C)cc1)c1cn(Cc2ccc(OC)cc2)c2ccccc12
• InChI: InChI=1S/C32H38N2O3/c1-32(2,3)25-14-12-24(13-15-25)28(20-31(35)33-18-19-36-4)29-22-34(30-9-7-6-8-27(29)30)21-23-10-16-26(37-5)17-11-23/h6-17,22,28H,18-21H2,1-5H3,(H,33,35)
• InChIKey: KVVNLLULLNNLFJ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 52.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (CID 90488594) is 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is COCCNC(=O)CC(c1ccc(C(C)(C)C)cc1)c1cn(Cc2ccc(OC)cc2)c2ccccc12.

What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

The InChIKey is KVVNLLULLNNLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-32(2,3)25-14-12-24(13-15-25)28(20-31(35)33-18-19-36-4)29-22-34(30-9-7-6-8-27(29)30)21-23-10-16-26(37-5)17-11-23/h6-17,22,28H,18-21H2,1-5H3,(H,33,35).

What are the key properties of 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 498.67 g/mol, XLogP of 6.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 90488594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).