2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide

C48H36N2O4 — CID 177433826

IUPAC2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc2ccccc2c1-c1c(NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H36N2O4/c51-45(47(53,35-19-5-1-6-20-35)36-21-7-2-8-22-36)49-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)50-46(52)48(54,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,53-54H,(H,49,51)(H,50,52)
InChIKeyXVGQJHYMPMIBSX-UHFFFAOYSA-N
MW704.83 g/mol
LogP9.41
Rot. Bonds9

About 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide

2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide (PubChem CID 177433826) has the molecular formula C48H36N2O4 and a molecular weight of 704.83 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
PubChem CID177433826
Molecular FormulaC48H36N2O4
Molecular Weight704.83 g/mol
Exact Mass704.27
IUPAC Name2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc2ccccc2c1-c1c(NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H36N2O4/c51-45(47(53,35-19-5-1-6-20-35)36-21-7-2-8-22-36)49-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)50-46(52)48(54,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,53-54H,(H,49,51)(H,50,52)
InChIKeyXVGQJHYMPMIBSX-UHFFFAOYSA-N
XLogP9.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 59.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(1H-indazol-7-yl)-2,2-diphenylacetamide
CID 110885025
methyl N-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]carbamate
CID 12010727
1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide
CID 24866234
N-[2-[2-(dimethylamino)ethyl]phenyl]-2-hydroxy-2,2-diphenylacetamide
CID 167755447
1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 58470814
N-(4-fluorophenyl)-2-hydroxy-2,2-diphenylacetamide
CID 693053
2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide
CID 163297603
N-ethyl-1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 13346234
N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide
CID 156768686
(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
CID 163788130
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide
CID 23098158
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide (CID 177433826) is 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide is O=C(Nc1ccc2ccccc2c1-c1c(NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide?
The InChIKey is XVGQJHYMPMIBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O4/c51-45(47(53,35-19-5-1-6-20-35)36-21-7-2-8-22-36)49-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)50-46(52)48(54,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,53-54H,(H,49,51)(H,50,52).
What are the key properties of 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide?
2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide has a molecular weight of 704.83 g/mol, XLogP of 9.41, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 177433826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).