2-oxo-N-tritylpropanamide

C22H19NO2 — CID 165388069

IUPAC2-oxo-N-tritylpropanamide
SMILESCC(=O)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-17(24)21(25)23-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,23,25)
InChIKeyXFAOAQBCZAMOQV-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.68
Rot. Bonds5

About 2-oxo-N-tritylpropanamide

2-oxo-N-tritylpropanamide (PubChem CID 165388069) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-oxo-N-tritylpropanamide.

Molecular Properties

Compound Name2-oxo-N-tritylpropanamide
PubChem CID165388069
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-oxo-N-tritylpropanamide
SMILESCC(=O)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-17(24)21(25)23-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,23,25)
InChIKeyXFAOAQBCZAMOQV-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-tritylurea
CID 167052887
2-bromo-2-methyl-N-tritylpropanamide
CID 11475304
N-tritylpentanamide
CID 71163215
(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
2-methyl-2-(tritylamino)propanoic acid
CID 71215938
2-methoxy-3,3-dimethyl-N-tritylbutanamide
CID 15309425
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 110478382
2-acetamido-2-(tritylamino)acetic acid
CID 57262896
1,1,1-triphenyl-N-trimethylsilylmethanamine
CID 139140231

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-tritylpropanamide?
The IUPAC name of 2-oxo-N-tritylpropanamide (CID 165388069) is 2-oxo-N-tritylpropanamide.
What is the SMILES notation for 2-oxo-N-tritylpropanamide?
The canonical SMILES for 2-oxo-N-tritylpropanamide is CC(=O)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-oxo-N-tritylpropanamide?
The InChIKey is XFAOAQBCZAMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-17(24)21(25)23-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,23,25).
What are the key properties of 2-oxo-N-tritylpropanamide?
2-oxo-N-tritylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-tritylpropanamide is sourced from PubChem (CID 165388069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).