1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide

C36H38N2O4 — CID 66923306

IUPAC1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
SMILESC[C@@H](NC(=O)C1(C(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)CCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38N2O4/c1-26(35(41,28-16-7-3-8-17-28)29-18-9-4-10-19-29)37-32(39)34(24-15-25-34)33(40)38-27(2)36(42,30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-14,16-23,26-27,41-42H,15,24-25H2,1-2H3,(H,37,39)(H,38,40)/t26-,27-/m1/s1
InChIKeyHVHTYXNFOVTMSE-KAYWLYCHSA-N
MW562.71 g/mol
LogP5.04
Rot. Bonds10

About 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide

1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide (PubChem CID 66923306) has the molecular formula C36H38N2O4 and a molecular weight of 562.71 g/mol. Its IUPAC name is 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
PubChem CID66923306
Molecular FormulaC36H38N2O4
Molecular Weight562.71 g/mol
Exact Mass562.28
IUPAC Name1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
SMILESC[C@@H](NC(=O)C1(C(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)CCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38N2O4/c1-26(35(41,28-16-7-3-8-17-28)29-18-9-4-10-19-29)37-32(39)34(24-15-25-34)33(40)38-27(2)36(42,30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-14,16-23,26-27,41-42H,15,24-25H2,1-2H3,(H,37,39)(H,38,40)/t26-,27-/m1/s1
InChIKeyHVHTYXNFOVTMSE-KAYWLYCHSA-N
XLogP5.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 55.04
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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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide (CID 66923306) is 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide is C[C@@H](NC(=O)C1(C(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)CCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide?
The InChIKey is HVHTYXNFOVTMSE-KAYWLYCHSA-N. The full InChI is InChI=1S/C36H38N2O4/c1-26(35(41,28-16-7-3-8-17-28)29-18-9-4-10-19-29)37-32(39)34(24-15-25-34)33(40)38-27(2)36(42,30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-14,16-23,26-27,41-42H,15,24-25H2,1-2H3,(H,37,39)(H,38,40)/t26-,27-/m1/s1.
What are the key properties of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide?
1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide has a molecular weight of 562.71 g/mol, XLogP of 5.04, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide is sourced from PubChem (CID 66923306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).