1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide

C51H52N2O8 — CID 66923493

About 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide

1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 66923493) has the molecular formula C51H52N2O8 and a molecular weight of 820.98 g/mol. Its IUPAC name is 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 66923493
• Molecular Formula: C51H52N2O8
• Molecular Weight: 820.98 g/mol
• Exact Mass: 820.37
• IUPAC Name: 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
• SMILES: COc1ccccc1C(O)(c1ccccc1OC)[C@@H](Cc1ccccc1)N(C(=O)C1(C(N)=O)CC1)[C@H](Cc1ccccc1)C(O)(c1ccccc1OC)c1ccccc1OC
• InChI: InChI=1S/C51H52N2O8/c1-58-41-27-15-11-23-37(41)50(56,38-24-12-16-28-42(38)59-2)45(33-35-19-7-5-8-20-35)53(48(55)49(31-32-49)47(52)54)46(34-36-21-9-6-10-22-36)51(57,39-25-13-17-29-43(39)60-3)40-26-14-18-30-44(40)61-4/h5-30,45-46,56-57H,31-34H2,1-4H3,(H2,52,54)/t45-,46-/m1/s1
• InChIKey: RGHBXRIFFMNFHJ-AWSIMMLFSA-N
• XLogP: 7.21
• TPSA: 140.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.98
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide (CID 66923493) is 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide is COc1ccccc1C(O)(c1ccccc1OC)[C@@H](Cc1ccccc1)N(C(=O)C1(C(N)=O)CC1)[C@H](Cc1ccccc1)C(O)(c1ccccc1OC)c1ccccc1OC.

What is the InChIKey of 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?

The InChIKey is RGHBXRIFFMNFHJ-AWSIMMLFSA-N. The full InChI is InChI=1S/C51H52N2O8/c1-58-41-27-15-11-23-37(41)50(56,38-24-12-16-28-42(38)59-2)45(33-35-19-7-5-8-20-35)53(48(55)49(31-32-49)47(52)54)46(34-36-21-9-6-10-22-36)51(57,39-25-13-17-29-43(39)60-3)40-26-14-18-30-44(40)61-4/h5-30,45-46,56-57H,31-34H2,1-4H3,(H2,52,54)/t45-,46-/m1/s1.

What are the key properties of 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?

1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 820.98 g/mol, XLogP of 7.21, 18 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66923493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).