N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide

C27H28N2O3 — CID 53099403

About N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide

N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide (PubChem CID 53099403) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
• PubChem CID: 53099403
• Molecular Formula: C27H28N2O3
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.21
• IUPAC Name: N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
• SMILES: COc1ccc(C(=O)N2c3cc(CNC(=O)CCc4ccccc4)ccc3CC2C)cc1
• InChI: InChI=1S/C27H28N2O3/c1-19-16-23-10-8-21(18-28-26(30)15-9-20-6-4-3-5-7-20)17-25(23)29(19)27(31)22-11-13-24(32-2)14-12-22/h3-8,10-14,17,19H,9,15-16,18H2,1-2H3,(H,28,30)
• InChIKey: KPAQFWGXEHWTQF-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?

The IUPAC name of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide (CID 53099403) is N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide.

What is the SMILES notation for N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?

The canonical SMILES for N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide is COc1ccc(C(=O)N2c3cc(CNC(=O)CCc4ccccc4)ccc3CC2C)cc1.

What is the InChIKey of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?

The InChIKey is KPAQFWGXEHWTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-16-23-10-8-21(18-28-26(30)15-9-20-6-4-3-5-7-20)17-25(23)29(19)27(31)22-11-13-24(32-2)14-12-22/h3-8,10-14,17,19H,9,15-16,18H2,1-2H3,(H,28,30).

What are the key properties of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?

N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide has a molecular weight of 428.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 53099403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).