N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide

C51H42N2O4 — CID 69009990

IUPACN,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide
SMILESO=C(CC(=O)N[C@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)N[C@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H42N2O4/c54-46(52-48(44-33-17-21-36-19-13-15-31-42(36)44)50(56,38-23-5-1-6-24-38)39-25-7-2-8-26-39)35-47(55)53-49(45-34-18-22-37-20-14-16-32-43(37)45)51(57,40-27-9-3-10-28-40)41-29-11-4-12-30-41/h1-34,48-49,56-57H,35H2,(H,52,54)(H,53,55)/t48-,49-/m1/s1
InChIKeyMFSWFUVHBKGXFF-YYACYCFASA-N
MW746.91 g/mol
LogP9.27
Rot. Bonds12

About N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide

N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide (PubChem CID 69009990) has the molecular formula C51H42N2O4 and a molecular weight of 746.91 g/mol. Its IUPAC name is N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide
PubChem CID69009990
Molecular FormulaC51H42N2O4
Molecular Weight746.91 g/mol
Exact Mass746.31
IUPAC NameN,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide
SMILESO=C(CC(=O)N[C@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)N[C@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H42N2O4/c54-46(52-48(44-33-17-21-36-19-13-15-31-42(36)44)50(56,38-23-5-1-6-24-38)39-25-7-2-8-26-39)35-47(55)53-49(45-34-18-22-37-20-14-16-32-43(37)45)51(57,40-27-9-3-10-28-40)41-29-11-4-12-30-41/h1-34,48-49,56-57H,35H2,(H,52,54)(H,53,55)/t48-,49-/m1/s1
InChIKeyMFSWFUVHBKGXFF-YYACYCFASA-N
XLogP9.27
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 59.27
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

N,N'-bis[2-hydroxy-2,2-bis(4-methoxyphenyl)-1-naphthalen-1-ylethyl]propanediamide
CID 23140891
N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
CID 23140906
N,N'-bis[(1S)-2-hydroxy-1-naphthalen-1-yl-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propyl]propanediamide
CID 87160860
2,2-diethyl-N,N'-bis[(1S)-2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]propanediamide
CID 66807835
N,N'-bis[(1S)-2-hexyl-2-hydroxy-1-naphthalen-1-yloctyl]propanediamide
CID 67534057
N,N'-bis[(1S)-2-hydroxy-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 66807729
N,N'-bis[(1S)-2-hydroxy-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 66807861
N,N'-bis[(1S)-2-hydroxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 87160958
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
CID 23140848
1-N,1-N'-bis[(1S)-2-hydroxy-2,2-bis(3-methoxyphenyl)-1-naphthalen-1-ylethyl]cyclopentane-1,1-dicarboxamide
CID 87160916
3-naphthalen-1-yl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3764471

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide?
The IUPAC name of N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide (CID 69009990) is N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide.
What is the SMILES notation for N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide?
The canonical SMILES for N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide is O=C(CC(=O)N[C@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)N[C@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide?
The InChIKey is MFSWFUVHBKGXFF-YYACYCFASA-N. The full InChI is InChI=1S/C51H42N2O4/c54-46(52-48(44-33-17-21-36-19-13-15-31-42(36)44)50(56,38-23-5-1-6-24-38)39-25-7-2-8-26-39)35-47(55)53-49(45-34-18-22-37-20-14-16-32-43(37)45)51(57,40-27-9-3-10-28-40)41-29-11-4-12-30-41/h1-34,48-49,56-57H,35H2,(H,52,54)(H,53,55)/t48-,49-/m1/s1.
What are the key properties of N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide?
N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide has a molecular weight of 746.91 g/mol, XLogP of 9.27, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide is sourced from PubChem (CID 69009990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).