2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide

C31H36N2O3 — CID 10116944

About 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide

2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide (PubChem CID 10116944) has the molecular formula C31H36N2O3 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
• PubChem CID: 10116944
• Molecular Formula: C31H36N2O3
• Molecular Weight: 484.64 g/mol
• Exact Mass: 484.27
• IUPAC Name: 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
• SMILES: NC(=O)Cc1cccc(OCCCN(CC2CCC=CO2)CC(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C31H36N2O3/c32-31(34)22-25-11-9-17-28(21-25)35-20-10-18-33(23-29-16-7-8-19-36-29)24-30(26-12-3-1-4-13-26)27-14-5-2-6-15-27/h1-6,8-9,11-15,17,19,21,29-30H,7,10,16,18,20,22-24H2,(H2,32,34)
• InChIKey: BFITWMFBJFSFLY-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.64
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?

The IUPAC name of 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide (CID 10116944) is 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide.

What is the SMILES notation for 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?

The canonical SMILES for 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide is NC(=O)Cc1cccc(OCCCN(CC2CCC=CO2)CC(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?

The InChIKey is BFITWMFBJFSFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O3/c32-31(34)22-25-11-9-17-28(21-25)35-20-10-18-33(23-29-16-7-8-19-36-29)24-30(26-12-3-1-4-13-26)27-14-5-2-6-15-27/h1-6,8-9,11-15,17,19,21,29-30H,7,10,16,18,20,22-24H2,(H2,32,34).

What are the key properties of 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide?

2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide has a molecular weight of 484.64 g/mol, XLogP of 5.31, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 10116944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).