2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide

C30H35N5O5 — CID 70143759

About 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide

2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 70143759) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide
• PubChem CID: 70143759
• Molecular Formula: C30H35N5O5
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.26
• IUPAC Name: 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide
• SMILES: CCOC(CN1C(=O)C(NC(=O)Nc2ccc(N)cc2)(C(C(N)=O)c2ccc(C)cc2)c2ccccc21)OCC
• InChI: InChI=1S/C30H35N5O5/c1-4-39-25(40-5-2)18-35-24-9-7-6-8-23(24)30(28(35)37,26(27(32)36)20-12-10-19(3)11-13-20)34-29(38)33-22-16-14-21(31)15-17-22/h6-17,25-26H,4-5,18,31H2,1-3H3,(H2,32,36)(H2,33,34,38)
• InChIKey: JPPSRCCBDYWOSJ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 149.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide (CID 70143759) is 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide.

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

The canonical SMILES for 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide is CCOC(CN1C(=O)C(NC(=O)Nc2ccc(N)cc2)(C(C(N)=O)c2ccc(C)cc2)c2ccccc21)OCC.

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

The InChIKey is JPPSRCCBDYWOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5/c1-4-39-25(40-5-2)18-35-24-9-7-6-8-23(24)30(28(35)37,26(27(32)36)20-12-10-19(3)11-13-20)34-29(38)33-22-16-14-21(31)15-17-22/h6-17,25-26H,4-5,18,31H2,1-3H3,(H2,32,36)(H2,33,34,38).

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

2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 545.64 g/mol, XLogP of 3.61, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-aminophenyl)carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 70143759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).