N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide

C53H46N2O4 — CID 23140846

IUPACN,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H46N2O4/c1-51(2,49(56)54-47(41-33-31-37-19-15-17-21-39(37)35-41)52(58,43-23-7-3-8-24-43)44-25-9-4-10-26-44)50(57)55-48(42-34-32-38-20-16-18-22-40(38)36-42)53(59,45-27-11-5-12-28-45)46-29-13-6-14-30-46/h3-36,47-48,58-59H,1-2H3,(H,54,56)(H,55,57)
InChIKeyVHYLSJMDRLOJBJ-UHFFFAOYSA-N
MW774.96 g/mol
LogP9.91
Rot. Bonds12

About N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide

N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide (PubChem CID 23140846) has the molecular formula C53H46N2O4 and a molecular weight of 774.96 g/mol. Its IUPAC name is N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
PubChem CID23140846
Molecular FormulaC53H46N2O4
Molecular Weight774.96 g/mol
Exact Mass774.35
IUPAC NameN,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H46N2O4/c1-51(2,49(56)54-47(41-33-31-37-19-15-17-21-39(37)35-41)52(58,43-23-7-3-8-24-43)44-25-9-4-10-26-44)50(57)55-48(42-34-32-38-20-16-18-22-40(38)36-42)53(59,45-27-11-5-12-28-45)46-29-13-6-14-30-46/h3-36,47-48,58-59H,1-2H3,(H,54,56)(H,55,57)
InChIKeyVHYLSJMDRLOJBJ-UHFFFAOYSA-N
XLogP9.91
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.96
LogP ≤ 59.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]ethyl]cyclohexyl]urea
CID 11656865
1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-[4-[2-(1-naphthalen-1-ylethylamino)ethyl]cyclohexyl]urea
CID 45481308
2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide
CID 23091218
2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(3-methylphenyl)-1-naphthalen-1-ylethyl]acetamide
CID 23091281
2,2,2-trifluoro-N-(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)acetamide
CID 23091574
2,2,2-trifluoro-N-[2-hydroxy-1-(2-methylphenyl)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]acetamide
CID 140012782
2,2,2-trifluoro-N-[2-hydroxy-1-(2-methylphenyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propyl]acetamide
CID 140012788
1-N,3-N-bis[(2S)-1-hydroxy-3-naphthalen-1-yl-1,1-diphenylpropan-2-yl]benzene-1,3-dicarboxamide
CID 71665374
N-((2-hydroxynaphthalen-2-yl)(naphthalen-2-yl)methyl)acetamide
CID 157660016
N,N'-bis[(1R)-2-hydroxy-1,2,2-triphenylethyl]propanediamide
CID 10865186
N,N'-bis[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]-2,2-dimethylpropanediamide
CID 11180031
N,N'-bis[(1R)-2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl]-2,2-dimethylpropanediamide
CID 11421146

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide (CID 23140846) is N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NC(c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
The InChIKey is VHYLSJMDRLOJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2O4/c1-51(2,49(56)54-47(41-33-31-37-19-15-17-21-39(37)35-41)52(58,43-23-7-3-8-24-43)44-25-9-4-10-26-44)50(57)55-48(42-34-32-38-20-16-18-22-40(38)36-42)53(59,45-27-11-5-12-28-45)46-29-13-6-14-30-46/h3-36,47-48,58-59H,1-2H3,(H,54,56)(H,55,57).
What are the key properties of N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
N,N'-bis(2-hydroxy-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide has a molecular weight of 774.96 g/mol, XLogP of 9.91, 12 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-1-naphthalen-2-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).