N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide

C49H50N2O4 — CID 69009193

About N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide

N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide (PubChem CID 69009193) has the molecular formula C49H50N2O4 and a molecular weight of 730.95 g/mol. Its IUPAC name is N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide.

Molecular Properties

• Compound Name: N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
• PubChem CID: 69009193
• Molecular Formula: C49H50N2O4
• Molecular Weight: 730.95 g/mol
• Exact Mass: 730.38
• IUPAC Name: N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
• SMILES: Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](Cc2ccccc2)NC(=O)CC(=O)N[C@H](Cc2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C49H50N2O4/c1-34-15-23-40(24-16-34)48(54,41-25-17-35(2)18-26-41)44(31-38-11-7-5-8-12-38)50-46(52)33-47(53)51-45(32-39-13-9-6-10-14-39)49(55,42-27-19-36(3)20-28-42)43-29-21-37(4)22-30-43/h5-30,44-45,54-55H,31-33H2,1-4H3,(H,50,52)(H,51,53)/t44-,45-/m1/s1
• InChIKey: BHXDZDAUJLGUJU-GSFSDPDBSA-N
• XLogP: 7.94
• TPSA: 98.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.95
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide?

The IUPAC name of N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide (CID 69009193) is N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide.

What is the SMILES notation for N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide?

The canonical SMILES for N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide is Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](Cc2ccccc2)NC(=O)CC(=O)N[C@H](Cc2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.

What is the InChIKey of N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide?

The InChIKey is BHXDZDAUJLGUJU-GSFSDPDBSA-N. The full InChI is InChI=1S/C49H50N2O4/c1-34-15-23-40(24-16-34)48(54,41-25-17-35(2)18-26-41)44(31-38-11-7-5-8-12-38)50-46(52)33-47(53)51-45(32-39-13-9-6-10-14-39)49(55,42-27-19-36(3)20-28-42)43-29-21-37(4)22-30-43/h5-30,44-45,54-55H,31-33H2,1-4H3,(H,50,52)(H,51,53)/t44-,45-/m1/s1.

What are the key properties of N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide?

N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide has a molecular weight of 730.95 g/mol, XLogP of 7.94, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide is sourced from PubChem (CID 69009193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).