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

C31H36N4O6 — CID 150344799

IUPAC2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCCOC(CN1C(=O)C(CC(=O)Nc2ccc(C)cc2)(N(C(N)=O)c2ccccc2OC)c2ccccc21)OCC
InChIInChI=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)
InChIKeyGSLRREQPNJRVMY-UHFFFAOYSA-N
MW560.65 g/mol
LogP4.56
Rot. Bonds12

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 Name2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID150344799
Molecular FormulaC31H36N4O6
Molecular Weight560.65 g/mol
Exact Mass560.26
IUPAC Name2-[3-(N-carbamoyl-2-methoxyanilino)-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCCOC(CN1C(=O)C(CC(=O)Nc2ccc(C)cc2)(N(C(N)=O)c2ccccc2OC)c2ccccc21)OCC
InChIInChI=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)
InChIKeyGSLRREQPNJRVMY-UHFFFAOYSA-N
XLogP4.56
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.65
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).