2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide

C30H28N2O4 — CID 143459558

About 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide

2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide (PubChem CID 143459558) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide
• PubChem CID: 143459558
• Molecular Formula: C30H28N2O4
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.20
• IUPAC Name: 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide
• SMILES: Cc1c(C(=O)C(N)=O)c2c(OCC(O)=C3CCC3)cccc2n1Cc1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C30H28N2O4/c1-19-27(29(34)30(31)35)28-24(11-6-12-26(28)36-18-25(33)23-9-5-10-23)32(19)17-20-13-15-22(16-14-20)21-7-3-2-4-8-21/h2-4,6-8,11-16,33H,5,9-10,17-18H2,1H3,(H2,31,35)
• InChIKey: WQRHOLFFZQZTCN-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 94.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide?

The IUPAC name of 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide (CID 143459558) is 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide.

What is the SMILES notation for 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide?

The canonical SMILES for 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide is Cc1c(C(=O)C(N)=O)c2c(OCC(O)=C3CCC3)cccc2n1Cc1ccc(-c2ccccc2)cc1.

What is the InChIKey of 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide?

The InChIKey is WQRHOLFFZQZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-19-27(29(34)30(31)35)28-24(11-6-12-26(28)36-18-25(33)23-9-5-10-23)32(19)17-20-13-15-22(16-14-20)21-7-3-2-4-8-21/h2-4,6-8,11-16,33H,5,9-10,17-18H2,1H3,(H2,31,35).

What are the key properties of 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide?

2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 480.56 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 143459558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).