N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide

C35H38N2O4 — CID 23140835

IUPACN,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NC(C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38N2O4/c1-25(34(40,27-17-9-5-10-18-27)28-19-11-6-12-20-28)36-31(38)33(3,4)32(39)37-26(2)35(41,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,40-41H,1-4H3,(H,36,38)(H,37,39)
InChIKeyWNPQPCQIFWBXLL-UHFFFAOYSA-N
MW550.70 g/mol
LogP4.89
Rot. Bonds10

About N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide

N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide (PubChem CID 23140835) has the molecular formula C35H38N2O4 and a molecular weight of 550.70 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide
PubChem CID23140835
Molecular FormulaC35H38N2O4
Molecular Weight550.70 g/mol
Exact Mass550.28
IUPAC NameN,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NC(C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38N2O4/c1-25(34(40,27-17-9-5-10-18-27)28-19-11-6-12-20-28)36-31(38)33(3,4)32(39)37-26(2)35(41,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,40-41H,1-4H3,(H,36,38)(H,37,39)
InChIKeyWNPQPCQIFWBXLL-UHFFFAOYSA-N
XLogP4.89
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.70
LogP ≤ 54.89
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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Related Compounds

2-[(2,2-diphenylacetyl)amino]-N-[4-[(2-hydroxy-2-phenylethyl)amino]-3,4-dioxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 44353631
N-(3,3-Diphenyl)propyl-2-hydroxy-2,2-diphenylacetamide
CID 44578576
N-(3-Hydroxy-1,3,3-triphenylpropyl)ethanimidic acid
CID 26746
1,1'-(Piperidine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94055
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide
CID 24970715
(2S)-2-amino-N-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]-4-methylpentanamide
CID 25265839
N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide
CID 135049328
1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol (3,7-Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione) clathrate
CID 139194841
N-(1-hydroxy-1,1,3-triphenylpropan-2-yl)acetamide
CID 155935876
1-[4-[[2-(4-Fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 109866367
N-[3-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 109875989
N-[3-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111519731

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide (CID 23140835) is N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide is CC(NC(=O)C(C)(C)C(=O)NC(C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide?
The InChIKey is WNPQPCQIFWBXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O4/c1-25(34(40,27-17-9-5-10-18-27)28-19-11-6-12-20-28)36-31(38)33(3,4)32(39)37-26(2)35(41,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,40-41H,1-4H3,(H,36,38)(H,37,39).
What are the key properties of N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide?
N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide has a molecular weight of 550.70 g/mol, XLogP of 4.89, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).