N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide

C46H44N2O4 — CID 23140850

IUPACN,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(NC(=O)C(=O)NC(c2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C46H44N2O4/c1-31-15-23-37(24-16-31)45(51,38-25-17-32(2)18-26-38)41(35-11-7-5-8-12-35)47-43(49)44(50)48-42(36-13-9-6-10-14-36)46(52,39-27-19-33(3)20-28-39)40-29-21-34(4)22-30-40/h5-30,41-42,51-52H,1-4H3,(H,47,49)(H,48,50)
InChIKeyPRCNODDVEBFASK-UHFFFAOYSA-N
MW688.87 g/mol
LogP7.81
Rot. Bonds10

About N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide

N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide (PubChem CID 23140850) has the molecular formula C46H44N2O4 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide
PubChem CID23140850
Molecular FormulaC46H44N2O4
Molecular Weight688.87 g/mol
Exact Mass688.33
IUPAC NameN,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(NC(=O)C(=O)NC(c2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C46H44N2O4/c1-31-15-23-37(24-16-31)45(51,38-25-17-32(2)18-26-38)41(35-11-7-5-8-12-35)47-43(49)44(50)48-42(36-13-9-6-10-14-36)46(52,39-27-19-33(3)20-28-39)40-29-21-34(4)22-30-40/h5-30,41-42,51-52H,1-4H3,(H,47,49)(H,48,50)
InChIKeyPRCNODDVEBFASK-UHFFFAOYSA-N
XLogP7.81
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 57.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N1-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 71781851
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765396
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-1-(2-methylphenyl)-2,2-bis(4-methylphenyl)ethyl]acetamide
CID 140012777
2-adamantyl(phenyl)methanol;N-[2-adamantyl(phenyl)methyl]-2,2,2-trifluoroacetamide;N-[(R)-2-adamantyl(phenyl)methyl]-2,2,2-trifluoroacetamide;N-[(S)-2-adamantyl(phenyl)methyl]-2,2,2-trifluoroacetamide;methane
CID 161311494
(S)-N-((S)-2-Hydroxy-1,2,2-triphenylethyl)pyrrolidine-2-carboxamide
CID 16726634
(2S)-2-[[3-[[[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]amino]methyl]phenyl]methylamino]-4-methyl-1,1-diphenylpentan-1-ol
CID 21633277
(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide
CID 134948853
N1-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-N2-(4-fluorobenzyl)oxalamide
CID 90497612
N1-(4-methylbenzyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 90498099
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368083
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368084

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide?
The IUPAC name of N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide (CID 23140850) is N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide.
What is the SMILES notation for N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide?
The canonical SMILES for N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide is Cc1ccc(C(O)(c2ccc(C)cc2)C(NC(=O)C(=O)NC(c2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide?
The InChIKey is PRCNODDVEBFASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N2O4/c1-31-15-23-37(24-16-31)45(51,38-25-17-32(2)18-26-38)41(35-11-7-5-8-12-35)47-43(49)44(50)48-42(36-13-9-6-10-14-36)46(52,39-27-19-33(3)20-28-39)40-29-21-34(4)22-30-40/h5-30,41-42,51-52H,1-4H3,(H,47,49)(H,48,50).
What are the key properties of N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide?
N,N'-bis[2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide has a molecular weight of 688.87 g/mol, XLogP of 7.81, 10 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-2,2-bis(4-methylphenyl)-1-phenylethyl]oxamide is sourced from PubChem (CID 23140850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).