N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide

C51H54N2O8 — CID 23140989

IUPACN,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C(Cc2ccccc2)NC(=O)C(C)(C)C(=O)NC(Cc2ccccc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C51H54N2O8/c1-49(2,47(54)52-45(33-35-13-9-7-10-14-35)50(56,37-17-25-41(58-3)26-18-37)38-19-27-42(59-4)28-20-38)48(55)53-46(34-36-15-11-8-12-16-36)51(57,39-21-29-43(60-5)30-22-39)40-23-31-44(61-6)32-24-40/h7-32,45-46,56-57H,33-34H2,1-6H3,(H,52,54)(H,53,55)
InChIKeyAGHXZYAQFSQMEG-UHFFFAOYSA-N
MW823.00 g/mol
LogP7.37
Rot. Bonds18

About N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide

N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide (PubChem CID 23140989) has the molecular formula C51H54N2O8 and a molecular weight of 823.00 g/mol. Its IUPAC name is N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide
PubChem CID23140989
Molecular FormulaC51H54N2O8
Molecular Weight823.00 g/mol
Exact Mass822.39
IUPAC NameN,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C(Cc2ccccc2)NC(=O)C(C)(C)C(=O)NC(Cc2ccccc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C51H54N2O8/c1-49(2,47(54)52-45(33-35-13-9-7-10-14-35)50(56,37-17-25-41(58-3)26-18-37)38-19-27-42(59-4)28-20-38)48(55)53-46(34-36-15-11-8-12-16-36)51(57,39-21-29-43(60-5)30-22-39)40-23-31-44(61-6)32-24-40/h7-32,45-46,56-57H,33-34H2,1-6H3,(H,52,54)(H,53,55)
InChIKeyAGHXZYAQFSQMEG-UHFFFAOYSA-N
XLogP7.37
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.00
LogP ≤ 57.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
CID 69009193
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoic acid
CID 70050979
2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 44563474
2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 23420726
N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide
CID 141117187
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-[tert-butylsulfinyl(methyl)amino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 78162985
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide (CID 23140989) is N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide is COc1ccc(C(O)(c2ccc(OC)cc2)C(Cc2ccccc2)NC(=O)C(C)(C)C(=O)NC(Cc2ccccc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
The InChIKey is AGHXZYAQFSQMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54N2O8/c1-49(2,47(54)52-45(33-35-13-9-7-10-14-35)50(56,37-17-25-41(58-3)26-18-37)38-19-27-42(59-4)28-20-38)48(55)53-46(34-36-15-11-8-12-16-36)51(57,39-21-29-43(60-5)30-22-39)40-23-31-44(61-6)32-24-40/h7-32,45-46,56-57H,33-34H2,1-6H3,(H,52,54)(H,53,55).
What are the key properties of N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide has a molecular weight of 823.00 g/mol, XLogP of 7.37, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).