N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide

C42H36N2O4 — CID 23140890

IUPACN,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide
SMILESO=C(NC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H36N2O4/c45-39(43-37(31-19-7-1-8-20-31)41(47,33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(46)44-38(32-21-9-2-10-22-32)42(48,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-38,47-48H,(H,43,45)(H,44,46)
InChIKeyIDGFCQPWXXSBJP-UHFFFAOYSA-N
MW632.76 g/mol
LogP6.57
Rot. Bonds10

About N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide

N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide (PubChem CID 23140890) has the molecular formula C42H36N2O4 and a molecular weight of 632.76 g/mol. Its IUPAC name is N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide
PubChem CID23140890
Molecular FormulaC42H36N2O4
Molecular Weight632.76 g/mol
Exact Mass632.27
IUPAC NameN,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide
SMILESO=C(NC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H36N2O4/c45-39(43-37(31-19-7-1-8-20-31)41(47,33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(46)44-38(32-21-9-2-10-22-32)42(48,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-38,47-48H,(H,43,45)(H,44,46)
InChIKeyIDGFCQPWXXSBJP-UHFFFAOYSA-N
XLogP6.57
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.76
LogP ≤ 56.57
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

N-(3-Hydroxy-1,3,3-triphenylpropyl)ethanimidic acid
CID 26746
N1-(4-fluorobenzyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764243
(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol
CID 90680251
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765396
1-[4-[2-(dibenzylamino)ethyl]cyclohexyl]-3-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]urea;2,2,2-trifluoroacetic acid
CID 69077673
1-[4-[2-(dibenzylamino)ethyl]cyclohexyl]-3-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]urea;2,2,2-trifluoroacetic acid
CID 69081500
(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
2,3,5,6-Tetraphenylpiperazine-2,5-diol
CID 134846140
(2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol
CID 134930883
(2S)-N-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-4-methylpyrrolidine-2-carboxamide
CID 134948853
(2S)-2-(dibenzylamino)-1,1,2-triphenylethanol
CID 135024978

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide?
The IUPAC name of N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide (CID 23140890) is N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide.
What is the SMILES notation for N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide?
The canonical SMILES for N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide is O=C(NC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide?
The InChIKey is IDGFCQPWXXSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O4/c45-39(43-37(31-19-7-1-8-20-31)41(47,33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(46)44-38(32-21-9-2-10-22-32)42(48,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-38,47-48H,(H,43,45)(H,44,46).
What are the key properties of N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide?
N,N'-bis(2-hydroxy-1,2,2-triphenylethyl)oxamide has a molecular weight of 632.76 g/mol, XLogP of 6.57, 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-1,2,2-triphenylethyl)oxamide is sourced from PubChem (CID 23140890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).