N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide

C71H58N2O4 — CID 87435570

IUPACN,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide
SMILESO=C(CC(=O)NCC(O)(Cc1cccc2ccccc12)C(c1cccc2ccccc12)c1cccc2ccccc12)NCC(O)(Cc1cccc2ccccc12)C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C71H58N2O4/c74-66(72-46-70(76,44-54-31-13-25-48-19-1-7-33-56(48)54)68(62-39-15-27-50-21-3-9-35-58(50)62)63-40-16-28-51-22-4-10-36-59(51)63)43-67(75)73-47-71(77,45-55-32-14-26-49-20-2-8-34-57(49)55)69(64-41-17-29-52-23-5-11-37-60(52)64)65-42-18-30-53-24-6-12-38-61(53)65/h1-42,68-69,76-77H,43-47H2,(H,72,74)(H,73,75)
InChIKeyLJNRPRNGTZPBLI-UHFFFAOYSA-N
MW1003.26 g/mol
LogP14.14
Rot. Bonds16

About N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide

N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide (PubChem CID 87435570) has the molecular formula C71H58N2O4 and a molecular weight of 1003.26 g/mol. Its IUPAC name is N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide
PubChem CID87435570
Molecular FormulaC71H58N2O4
Molecular Weight1003.26 g/mol
Exact Mass1002.44
IUPAC NameN,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide
SMILESO=C(CC(=O)NCC(O)(Cc1cccc2ccccc12)C(c1cccc2ccccc12)c1cccc2ccccc12)NCC(O)(Cc1cccc2ccccc12)C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C71H58N2O4/c74-66(72-46-70(76,44-54-31-13-25-48-19-1-7-33-56(48)54)68(62-39-15-27-50-21-3-9-35-58(50)62)63-40-16-28-51-22-4-10-36-59(51)63)43-67(75)73-47-71(77,45-55-32-14-26-49-20-2-8-34-57(49)55)69(64-41-17-29-52-23-5-11-37-60(52)64)65-42-18-30-53-24-6-12-38-61(53)65/h1-42,68-69,76-77H,43-47H2,(H,72,74)(H,73,75)
InChIKeyLJNRPRNGTZPBLI-UHFFFAOYSA-N
XLogP14.14
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.26
LogP ≤ 514.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol
CID 23091538
N,N'-bis[(1S)-2-hydroxy-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 66807729
N,N'-bis(2-benzyl-2-hydroxy-3-naphthalen-1-yl-3-phenylpropyl)-2,2-diethylpropanediamide
CID 66808030
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide
CID 87160884
N,N'-bis(2-hydroxy-5-naphthalen-1-yl-2-propylpentyl)propanediamide
CID 66807814
N,N'-bis[(1S)-2-hydroxy-1-naphthalen-1-yl-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propyl]propanediamide
CID 87160860
2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 87160915
N,N'-bis[(1S)-2-hydroxy-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 66807861
N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide
CID 69009990
1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol
CID 23091401
N,N'-bis[(1S)-2-hydroxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 87160958

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide?
The IUPAC name of N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide (CID 87435570) is N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide?
The canonical SMILES for N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide is O=C(CC(=O)NCC(O)(Cc1cccc2ccccc12)C(c1cccc2ccccc12)c1cccc2ccccc12)NCC(O)(Cc1cccc2ccccc12)C(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide?
The InChIKey is LJNRPRNGTZPBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H58N2O4/c74-66(72-46-70(76,44-54-31-13-25-48-19-1-7-33-56(48)54)68(62-39-15-27-50-21-3-9-35-58(50)62)63-40-16-28-51-22-4-10-36-59(51)63)43-67(75)73-47-71(77,45-55-32-14-26-49-20-2-8-34-57(49)55)69(64-41-17-29-52-23-5-11-37-60(52)64)65-42-18-30-53-24-6-12-38-61(53)65/h1-42,68-69,76-77H,43-47H2,(H,72,74)(H,73,75).
What are the key properties of N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide?
N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide has a molecular weight of 1003.26 g/mol, XLogP of 14.14, 16 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-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide is sourced from PubChem (CID 87435570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).