N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide

C42H32N2O2 — CID 2247470

IUPACN-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccccc1C#Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32N2O2/c45-41(39(33-19-5-1-6-20-33)34-21-7-2-8-22-34)43-37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)44-42(46)40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28,39-40H,(H,43,45)(H,44,46)
InChIKeyGEVPEOBGAVIHTG-UHFFFAOYSA-N
MW596.73 g/mol
LogP8.63
Rot. Bonds8

About N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide

N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide (PubChem CID 2247470) has the molecular formula C42H32N2O2 and a molecular weight of 596.73 g/mol. Its IUPAC name is N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
PubChem CID2247470
Molecular FormulaC42H32N2O2
Molecular Weight596.73 g/mol
Exact Mass596.25
IUPAC NameN-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccccc1C#Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32N2O2/c45-41(39(33-19-5-1-6-20-33)34-21-7-2-8-22-34)43-37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)44-42(46)40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28,39-40H,(H,43,45)(H,44,46)
InChIKeyGEVPEOBGAVIHTG-UHFFFAOYSA-N
XLogP8.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 10738761
2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide
CID 11508117
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336
methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
CID 108768055
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721
N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide
CID 2832543
2-[(2,2-diphenylacetyl)amino]-N-(2-methylphenyl)propanamide
CID 42702223
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide (CID 2247470) is N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide is O=C(Nc1ccccc1C#Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide?
The InChIKey is GEVPEOBGAVIHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O2/c45-41(39(33-19-5-1-6-20-33)34-21-7-2-8-22-34)43-37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)44-42(46)40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28,39-40H,(H,43,45)(H,44,46).
What are the key properties of N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide?
N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide has a molecular weight of 596.73 g/mol, XLogP of 8.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(2,2-diphenylacetyl)amino]phenyl]ethynyl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 2247470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).