2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide

C33H32N4O3 — CID 70145823

About 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide

2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide (PubChem CID 70145823) has the molecular formula C33H32N4O3 and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide
• PubChem CID: 70145823
• Molecular Formula: C33H32N4O3
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.25
• IUPAC Name: 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide
• SMILES: Cc1ccc(NC(=O)NC2(C(C(N)=O)c3ccc(C)cc3)C(=O)N(CCc3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C33H32N4O3/c1-22-12-16-25(17-13-22)29(30(34)38)33(36-32(40)35-26-18-14-23(2)15-19-26)27-10-6-7-11-28(27)37(31(33)39)21-20-24-8-4-3-5-9-24/h3-19,29H,20-21H2,1-2H3,(H2,34,38)(H2,35,36,40)
• InChIKey: ZZWYBKLRHCZARM-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide?

The IUPAC name of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide (CID 70145823) is 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide.

What is the SMILES notation for 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide?

The canonical SMILES for 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide is Cc1ccc(NC(=O)NC2(C(C(N)=O)c3ccc(C)cc3)C(=O)N(CCc3ccccc3)c3ccccc32)cc1.

What is the InChIKey of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide?

The InChIKey is ZZWYBKLRHCZARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O3/c1-22-12-16-25(17-13-22)29(30(34)38)33(36-32(40)35-26-18-14-23(2)15-19-26)27-10-6-7-11-28(27)37(31(33)39)21-20-24-8-4-3-5-9-24/h3-19,29H,20-21H2,1-2H3,(H2,34,38)(H2,35,36,40).

What are the key properties of 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide?

2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide has a molecular weight of 532.64 g/mol, XLogP of 5.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-phenylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 70145823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).