2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide

C31H36N4O6 — CID 150344799

About 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide

2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 150344799) has the molecular formula C31H36N4O6 and a molecular weight of 560.65 g/mol. Its IUPAC name is 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 150344799
• Molecular Formula: C31H36N4O6
• Molecular Weight: 560.65 g/mol
• Exact Mass: 560.26
• IUPAC Name: 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
• SMILES: CCOC(CN1C(=O)C(CC(=O)Nc2ccc(C)cc2)(N(C(N)=O)c2ccccc2OC)c2ccccc21)OCC
• InChI: InChI=1S/C31H36N4O6/c1-5-40-28(41-6-2)20-34-24-12-8-7-11-23(24)31(29(34)37,19-27(36)33-22-17-15-21(3)16-18-22)35(30(32)38)25-13-9-10-14-26(25)39-4/h7-18,28H,5-6,19-20H2,1-4H3,(H2,32,38)(H,33,36)
• InChIKey: GSLRREQPNJRVMY-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 123.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.65
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide (CID 150344799) is 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide is CCOC(CN1C(=O)C(CC(=O)Nc2ccc(C)cc2)(N(C(N)=O)c2ccccc2OC)c2ccccc21)OCC.

What is the InChIKey of 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is GSLRREQPNJRVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O6/c1-5-40-28(41-6-2)20-34-24-12-8-7-11-23(24)31(29(34)37,19-27(36)33-22-17-15-21(3)16-18-22)35(30(32)38)25-13-9-10-14-26(25)39-4/h7-18,28H,5-6,19-20H2,1-4H3,(H2,32,38)(H,33,36).

What are the key properties of 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide?

2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 560.65 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 150344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).