2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

C28H40N4O5S — CID 143433054

About 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (PubChem CID 143433054) has the molecular formula C28H40N4O5S and a molecular weight of 544.72 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
• PubChem CID: 143433054
• Molecular Formula: C28H40N4O5S
• Molecular Weight: 544.72 g/mol
• Exact Mass: 544.27
• IUPAC Name: 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
• SMILES: CC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CC(C)(N)C(=O)NCCOCc1ccccc1
• InChI: InChI=1S/C15H20N2O3S.C13H20N2O2/c1-12(18)16-9-7-15(8-10-16)11-17(21(2,19)20)14-6-4-3-5-13(14)15;1-13(2,14)12(16)15-8-9-17-10-11-6-4-3-5-7-11/h3-6H,7-11H2,1-2H3;3-7H,8-10,14H2,1-2H3,(H,15,16)
• InChIKey: UNFUPDVORRGHFO-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 122.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.72
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?

The IUPAC name of 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (CID 143433054) is 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.

What is the SMILES notation for 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?

The canonical SMILES for 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is CC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CC(C)(N)C(=O)NCCOCc1ccccc1.

What is the InChIKey of 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?

The InChIKey is UNFUPDVORRGHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S.C13H20N2O2/c1-12(18)16-9-7-15(8-10-16)11-17(21(2,19)20)14-6-4-3-5-13(14)15;1-13(2,14)12(16)15-8-9-17-10-11-6-4-3-5-7-11/h3-6H,7-11H2,1-2H3;3-7H,8-10,14H2,1-2H3,(H,15,16).

What are the key properties of 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?

2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone has a molecular weight of 544.72 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-(2-phenylmethoxyethyl)propanamide;1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 143433054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).