N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide

C65H70N2O4 — CID 87160884

About N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide

N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide (PubChem CID 87160884) has the molecular formula C65H70N2O4 and a molecular weight of 943.29 g/mol. Its IUPAC name is N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide.

Molecular Properties

• Compound Name: N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide
• PubChem CID: 87160884
• Molecular Formula: C65H70N2O4
• Molecular Weight: 943.29 g/mol
• Exact Mass: 942.53
• IUPAC Name: N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide
• SMILES: CCCC(CCC)(C(=O)NCC(O)(Cc1ccc(C)cc1)C(c1ccc(C)cc1)c1cccc2ccccc12)C(=O)NCC(O)(Cc1ccc(C)cc1)C(c1ccc(C)cc1)c1cccc2ccccc12
• InChI: InChI=1S/C65H70N2O4/c1-7-39-63(40-8-2,61(68)66-43-64(70,41-49-31-23-45(3)24-32-49)59(53-35-27-47(5)28-36-53)57-21-13-17-51-15-9-11-19-55(51)57)62(69)67-44-65(71,42-50-33-25-46(4)26-34-50)60(54-37-29-48(6)30-38-54)58-22-14-18-52-16-10-12-20-56(52)58/h9-38,59-60,70-71H,7-8,39-44H2,1-6H3,(H,66,68)(H,67,69)
• InChIKey: DRDSSQVOJPTUCH-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 98.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.29
LogP ≤ 5	12.96
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[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide?

The IUPAC name of N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide (CID 87160884) is N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide.

What is the SMILES notation for N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide?

The canonical SMILES for N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide is CCCC(CCC)(C(=O)NCC(O)(Cc1ccc(C)cc1)C(c1ccc(C)cc1)c1cccc2ccccc12)C(=O)NCC(O)(Cc1ccc(C)cc1)C(c1ccc(C)cc1)c1cccc2ccccc12.

What is the InChIKey of N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide?

The InChIKey is DRDSSQVOJPTUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H70N2O4/c1-7-39-63(40-8-2,61(68)66-43-64(70,41-49-31-23-45(3)24-32-49)59(53-35-27-47(5)28-36-53)57-21-13-17-51-15-9-11-19-55(51)57)62(69)67-44-65(71,42-50-33-25-46(4)26-34-50)60(54-37-29-48(6)30-38-54)58-22-14-18-52-16-10-12-20-56(52)58/h9-38,59-60,70-71H,7-8,39-44H2,1-6H3,(H,66,68)(H,67,69).

What are the key properties of N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide?

N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide has a molecular weight of 943.29 g/mol, XLogP of 12.96, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide is sourced from PubChem (CID 87160884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).