2-bromo-2-methyl-N-tritylpropanamide

C23H22BrNO — CID 11475304

IUPAC2-bromo-2-methyl-N-tritylpropanamide
SMILESCC(C)(Br)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22BrNO/c1-22(2,24)21(26)25-23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3,(H,25,26)
InChIKeyGZJSCPQBVHUBJV-UHFFFAOYSA-N
MW408.34 g/mol
LogP5.27
Rot. Bonds5

About 2-bromo-2-methyl-N-tritylpropanamide

2-bromo-2-methyl-N-tritylpropanamide (PubChem CID 11475304) has the molecular formula C23H22BrNO and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-tritylpropanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-tritylpropanamide
PubChem CID11475304
Molecular FormulaC23H22BrNO
Molecular Weight408.34 g/mol
Exact Mass407.09
IUPAC Name2-bromo-2-methyl-N-tritylpropanamide
SMILESCC(C)(Br)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22BrNO/c1-22(2,24)21(26)25-23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3,(H,25,26)
InChIKeyGZJSCPQBVHUBJV-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.34
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-tritylpropanamide
CID 165388069
1-methyl-3-tritylurea
CID 167052887
2-methyl-2-(tritylamino)propanoic acid
CID 71215938
2-methoxy-3,3-dimethyl-N-tritylbutanamide
CID 15309425
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 22253669
N-tritylpentanamide
CID 71163215
methyl 2-(tritylamino)acetate
CID 637611
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
3-bromo-N,2-dimethyl-2-phenylpropanamide
CID 154114907
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-tritylpropanamide?
The IUPAC name of 2-bromo-2-methyl-N-tritylpropanamide (CID 11475304) is 2-bromo-2-methyl-N-tritylpropanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-tritylpropanamide?
The canonical SMILES for 2-bromo-2-methyl-N-tritylpropanamide is CC(C)(Br)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-2-methyl-N-tritylpropanamide?
The InChIKey is GZJSCPQBVHUBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO/c1-22(2,24)21(26)25-23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3,(H,25,26).
What are the key properties of 2-bromo-2-methyl-N-tritylpropanamide?
2-bromo-2-methyl-N-tritylpropanamide has a molecular weight of 408.34 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-tritylpropanamide is sourced from PubChem (CID 11475304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).