1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide

C38H42N2O4 — CID 66923989

About 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide

1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide (PubChem CID 66923989) has the molecular formula C38H42N2O4 and a molecular weight of 590.76 g/mol. Its IUPAC name is 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
• PubChem CID: 66923989
• Molecular Formula: C38H42N2O4
• Molecular Weight: 590.76 g/mol
• Exact Mass: 590.31
• IUPAC Name: 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
• SMILES: C[C@@H](N(C(=O)C1(C(N)=O)CCCCC1)[C@H](C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C38H42N2O4/c1-28(37(43,30-18-8-3-9-19-30)31-20-10-4-11-21-31)40(35(42)36(34(39)41)26-16-7-17-27-36)29(2)38(44,32-22-12-5-13-23-32)33-24-14-6-15-25-33/h3-6,8-15,18-25,28-29,43-44H,7,16-17,26-27H2,1-2H3,(H2,39,41)/t28-,29-/m1/s1
• InChIKey: BFHLUPNYSACAHT-FQLXRVMXSA-N
• XLogP: 5.90
• TPSA: 103.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.76
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	3
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 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide?

The IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide (CID 66923989) is 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide.

What is the SMILES notation for 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide?

The canonical SMILES for 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide is C[C@@H](N(C(=O)C1(C(N)=O)CCCCC1)[C@H](C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.

What is the InChIKey of 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide?

The InChIKey is BFHLUPNYSACAHT-FQLXRVMXSA-N. The full InChI is InChI=1S/C38H42N2O4/c1-28(37(43,30-18-8-3-9-19-30)31-20-10-4-11-21-31)40(35(42)36(34(39)41)26-16-7-17-27-36)29(2)38(44,32-22-12-5-13-23-32)33-24-14-6-15-25-33/h3-6,8-15,18-25,28-29,43-44H,7,16-17,26-27H2,1-2H3,(H2,39,41)/t28-,29-/m1/s1.

What are the key properties of 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide?

1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide has a molecular weight of 590.76 g/mol, XLogP of 5.90, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide is sourced from PubChem (CID 66923989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).