dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate

C51H43NO7 — CID 139655275

IUPACdibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate
SMILESNC(=O)C(O)C(C(=O)OC(c1ccccc1)c1ccccc1)(C(=O)OC(c1ccccc1)c1ccccc1)C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H43NO7/c52-46(54)45(53)51(48(56)58-43(36-22-8-1-9-23-36)37-24-10-2-11-25-37,49(57)59-44(38-26-12-3-13-27-38)39-28-14-4-15-29-39)47(55)50(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35,43-45,47,53,55H,(H2,52,54)
InChIKeySZXJTGNRXCATQC-UHFFFAOYSA-N
MW781.91 g/mol
LogP7.88
Rot. Bonds15

About dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate

dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate (PubChem CID 139655275) has the molecular formula C51H43NO7 and a molecular weight of 781.91 g/mol. Its IUPAC name is dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate.

Molecular Properties

Compound Namedibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate
PubChem CID139655275
Molecular FormulaC51H43NO7
Molecular Weight781.91 g/mol
Exact Mass781.30
IUPAC Namedibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate
SMILESNC(=O)C(O)C(C(=O)OC(c1ccccc1)c1ccccc1)(C(=O)OC(c1ccccc1)c1ccccc1)C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H43NO7/c52-46(54)45(53)51(48(56)58-43(36-22-8-1-9-23-36)37-24-10-2-11-25-37,49(57)59-44(38-26-12-3-13-27-38)39-28-14-4-15-29-39)47(55)50(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35,43-45,47,53,55H,(H2,52,54)
InChIKeySZXJTGNRXCATQC-UHFFFAOYSA-N
XLogP7.88
TPSA136.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.91
LogP ≤ 57.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate with MolForge

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Related Compounds

benzhydryl 2,2,2-triphenylacetate
CID 126186590
benzhydryl 2,2-dihydroxyacetate
CID 11076121
benzhydryl 2,2-dichloroacetate
CID 102144827
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl 2-[(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate
CID 152757921
benzhydryl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate
CID 139626103
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
2-benzhydryloxy-2-phenylacetamide
CID 54041521
2-phenyl-2-sulfanylacetamide
CID 19419425
benzhydryl (2S)-3-hydroxy-2-methyl-2-nitropropanoate
CID 102453901
dibenzhydryl (E)-but-2-enedioate
CID 19073748

Frequently Asked Questions

What is the IUPAC name of dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate?
The IUPAC name of dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate (CID 139655275) is dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate.
What is the SMILES notation for dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate?
The canonical SMILES for dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate is NC(=O)C(O)C(C(=O)OC(c1ccccc1)c1ccccc1)(C(=O)OC(c1ccccc1)c1ccccc1)C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate?
The InChIKey is SZXJTGNRXCATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43NO7/c52-46(54)45(53)51(48(56)58-43(36-22-8-1-9-23-36)37-24-10-2-11-25-37,49(57)59-44(38-26-12-3-13-27-38)39-28-14-4-15-29-39)47(55)50(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35,43-45,47,53,55H,(H2,52,54).
What are the key properties of dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate?
dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate has a molecular weight of 781.91 g/mol, XLogP of 7.88, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate is sourced from PubChem (CID 139655275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).