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

C53H46N2O4 — CID 23140906

IUPACN,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H46N2O4/c1-51(2,49(56)54-47(45-35-19-23-37-21-15-17-33-43(37)45)52(58,39-25-7-3-8-26-39)40-27-9-4-10-28-40)50(57)55-48(46-36-20-24-38-22-16-18-34-44(38)46)53(59,41-29-11-5-12-30-41)42-31-13-6-14-32-42/h3-36,47-48,58-59H,1-2H3,(H,54,56)(H,55,57)
InChIKeyGYXUGDPNOFZLDM-UHFFFAOYSA-N
MW774.96 g/mol
LogP9.91
Rot. Bonds12

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

N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide (PubChem CID 23140906) has the molecular formula C53H46N2O4 and a molecular weight of 774.96 g/mol. Its IUPAC name is N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
PubChem CID23140906
Molecular FormulaC53H46N2O4
Molecular Weight774.96 g/mol
Exact Mass774.35
IUPAC NameN,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H46N2O4/c1-51(2,49(56)54-47(45-35-19-23-37-21-15-17-33-43(37)45)52(58,39-25-7-3-8-26-39)40-27-9-4-10-28-40)50(57)55-48(46-36-20-24-38-22-16-18-34-44(38)46)53(59,41-29-11-5-12-30-41)42-31-13-6-14-32-42/h3-36,47-48,58-59H,1-2H3,(H,54,56)(H,55,57)
InChIKeyGYXUGDPNOFZLDM-UHFFFAOYSA-N
XLogP9.91
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.96
LogP ≤ 59.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
CID 23140848
N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide
CID 69009990
2,2-diethyl-N,N'-bis[(1S)-2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]propanediamide
CID 66807835
N,N'-bis[2-hydroxy-2,2-bis(4-methoxyphenyl)-1-naphthalen-1-ylethyl]propanediamide
CID 23140891
(2R)-N-[(1R)-2,2-dimethyl-1-naphthalen-1-ylpropyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 101097136
N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide
CID 141117189
N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807724
N,N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807723
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
1-N,1-N'-bis[(1S)-2-hydroxy-2,2-bis(3-methoxyphenyl)-1-naphthalen-1-ylethyl]cyclopentane-1,1-dicarboxamide
CID 87160916
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide (CID 23140906) is N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NC(c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
The InChIKey is GYXUGDPNOFZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2O4/c1-51(2,49(56)54-47(45-35-19-23-37-21-15-17-33-43(37)45)52(58,39-25-7-3-8-26-39)40-27-9-4-10-28-40)50(57)55-48(46-36-20-24-38-22-16-18-34-44(38)46)53(59,41-29-11-5-12-30-41)42-31-13-6-14-32-42/h3-36,47-48,58-59H,1-2H3,(H,54,56)(H,55,57).
What are the key properties of N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide?
N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide has a molecular weight of 774.96 g/mol, XLogP of 9.91, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).