N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide

C40H48N2O4 — CID 69006626

IUPACN,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C(=O)N[C@H](C(C)C)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C40H48N2O4/c1-25(2)35(39(45,31-17-9-27(5)10-18-31)32-19-11-28(6)12-20-32)41-37(43)38(44)42-36(26(3)4)40(46,33-21-13-29(7)14-22-33)34-23-15-30(8)16-24-34/h9-26,35-36,45-46H,1-8H3,(H,41,43)(H,42,44)/t35-,36-/m1/s1
InChIKeyFHAMLHROWHTJIR-LQFQNGICSA-N
MW620.83 g/mol
LogP6.37
Rot. Bonds10

About N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide

N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide (PubChem CID 69006626) has the molecular formula C40H48N2O4 and a molecular weight of 620.83 g/mol. Its IUPAC name is N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide
PubChem CID69006626
Molecular FormulaC40H48N2O4
Molecular Weight620.83 g/mol
Exact Mass620.36
IUPAC NameN,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C(=O)N[C@H](C(C)C)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C40H48N2O4/c1-25(2)35(39(45,31-17-9-27(5)10-18-31)32-19-11-28(6)12-20-32)41-37(43)38(44)42-36(26(3)4)40(46,33-21-13-29(7)14-22-33)34-23-15-30(8)16-24-34/h9-26,35-36,45-46H,1-8H3,(H,41,43)(H,42,44)/t35-,36-/m1/s1
InChIKeyFHAMLHROWHTJIR-LQFQNGICSA-N
XLogP6.37
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.83
LogP ≤ 56.37
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

(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18640444
tert-butyl N-[(2S)-1-hydroxy-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]carbamate
CID 10070458
1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923949
2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18373849
3-hydroxy-2-methyl-3,3-bis(4-methylphenyl)propanenitrile
CID 163818996
N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
CID 11317217
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
CID 69009193
2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
CID 114992666
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide?
The IUPAC name of N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide (CID 69006626) is N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide.
What is the SMILES notation for N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide?
The canonical SMILES for N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide is Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C(=O)N[C@H](C(C)C)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)C(C)C)cc1.
What is the InChIKey of N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide?
The InChIKey is FHAMLHROWHTJIR-LQFQNGICSA-N. The full InChI is InChI=1S/C40H48N2O4/c1-25(2)35(39(45,31-17-9-27(5)10-18-31)32-19-11-28(6)12-20-32)41-37(43)38(44)42-36(26(3)4)40(46,33-21-13-29(7)14-22-33)34-23-15-30(8)16-24-34/h9-26,35-36,45-46H,1-8H3,(H,41,43)(H,42,44)/t35-,36-/m1/s1.
What are the key properties of N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide?
N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide has a molecular weight of 620.83 g/mol, XLogP of 6.37, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2R)-1-hydroxy-3-methyl-1,1-bis(4-methylphenyl)butan-2-yl]oxamide is sourced from PubChem (CID 69006626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).