1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide

C47H44N2O4 — CID 66923555

IUPAC1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C47H44N2O4/c50-43(48-41(33-35-19-7-1-8-20-35)46(52,37-23-11-3-12-24-37)38-25-13-4-14-26-38)45(31-32-45)44(51)49-42(34-36-21-9-2-10-22-36)47(53,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-42,52-53H,31-34H2,(H,48,50)(H,49,51)/t41-,42-/m1/s1
InChIKeyGETMDJKBHXFXJL-NCRNUEESSA-N
MW700.88 g/mol
LogP7.09
Rot. Bonds14

About 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide

1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 66923555) has the molecular formula C47H44N2O4 and a molecular weight of 700.88 g/mol. Its IUPAC name is 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
PubChem CID66923555
Molecular FormulaC47H44N2O4
Molecular Weight700.88 g/mol
Exact Mass700.33
IUPAC Name1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C47H44N2O4/c50-43(48-41(33-35-19-7-1-8-20-35)46(52,37-23-11-3-12-24-37)38-25-13-4-14-26-38)45(31-32-45)44(51)49-42(34-36-21-9-2-10-22-36)47(53,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-42,52-53H,31-34H2,(H,48,50)(H,49,51)/t41-,42-/m1/s1
InChIKeyGETMDJKBHXFXJL-NCRNUEESSA-N
XLogP7.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 57.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide with MolForge

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Related Compounds

1-N,1-N'-bis[(2R)-3-benzyl-3-hydroxy-1,4-diphenylbutan-2-yl]cyclobutane-1,1-dicarboxamide
CID 66923415
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
CID 69009193
1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
CID 66923306
1-N,1-N'-bis[(3R)-2-benzyl-2-hydroxy-5-methyl-1-phenylhexan-3-yl]cyclobutane-1,1-dicarboxamide
CID 66923843
N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide
CID 23140989
1-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 166300771
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide
CID 136729180
2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 23420726
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
CID 7023047
(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
CID 122228093

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide (CID 66923555) is 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide is O=C(N[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is GETMDJKBHXFXJL-NCRNUEESSA-N. The full InChI is InChI=1S/C47H44N2O4/c50-43(48-41(33-35-19-7-1-8-20-35)46(52,37-23-11-3-12-24-37)38-25-13-4-14-26-38)45(31-32-45)44(51)49-42(34-36-21-9-2-10-22-36)47(53,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41-42,52-53H,31-34H2,(H,48,50)(H,49,51)/t41-,42-/m1/s1.
What are the key properties of 1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 700.88 g/mol, XLogP of 7.09, 14 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-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66923555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).