N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide

C41H50N2O4 — CID 23140869

IUPACN,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)CC(NC(=O)C(C)(C)C(=O)NC(CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H50N2O4/c1-29(2)27-35(40(46,31-19-11-7-12-20-31)32-21-13-8-14-22-32)42-37(44)39(5,6)38(45)43-36(28-30(3)4)41(47,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,29-30,35-36,46-47H,27-28H2,1-6H3,(H,42,44)(H,43,45)
InChIKeyNNXYDNIODPKKOW-UHFFFAOYSA-N
MW634.86 g/mol
LogP6.95
Rot. Bonds14

About N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide

N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide (PubChem CID 23140869) has the molecular formula C41H50N2O4 and a molecular weight of 634.86 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide
PubChem CID23140869
Molecular FormulaC41H50N2O4
Molecular Weight634.86 g/mol
Exact Mass634.38
IUPAC NameN,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)CC(NC(=O)C(C)(C)C(=O)NC(CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H50N2O4/c1-29(2)27-35(40(46,31-19-11-7-12-20-31)32-21-13-8-14-22-32)42-37(44)39(5,6)38(45)43-36(28-30(3)4)41(47,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,29-30,35-36,46-47H,27-28H2,1-6H3,(H,42,44)(H,43,45)
InChIKeyNNXYDNIODPKKOW-UHFFFAOYSA-N
XLogP6.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.86
LogP ≤ 56.95
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-[1-[(2-hydroxy-2-phenylethyl)amino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 44353545
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-diphenylpropyl)-2-hydroxy-2-phenylheptanamide
CID 11154247
N-(3,3-Diphenyl)propyl-2-hydroxy-2,2-diphenylacetamide
CID 44578576
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
N-[3-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 109875989
(E)-11,11-difluoro-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]octadec-3-enamide
CID 162563713

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide (CID 23140869) is N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide is CC(C)CC(NC(=O)C(C)(C)C(=O)NC(CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide?
The InChIKey is NNXYDNIODPKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50N2O4/c1-29(2)27-35(40(46,31-19-11-7-12-20-31)32-21-13-8-14-22-32)42-37(44)39(5,6)38(45)43-36(28-30(3)4)41(47,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,29-30,35-36,46-47H,27-28H2,1-6H3,(H,42,44)(H,43,45).
What are the key properties of N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide?
N,N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide has a molecular weight of 634.86 g/mol, XLogP of 6.95, 14 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-4-methyl-1,1-diphenylpentan-2-yl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).