2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide

C15H21BrN2O2 — CID 113178016

IUPAC2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc(C)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-6-7-13(12(16)8-10)18(11(2)19)9-14(20)17-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyJMYYLPSZTCUQEQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.03
Rot. Bonds3

About 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide

2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide (PubChem CID 113178016) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
PubChem CID113178016
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc(C)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-6-7-13(12(16)8-10)18(11(2)19)9-14(20)17-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyJMYYLPSZTCUQEQ-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
CID 113177979
2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178033
2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113178005
2-(N-acetyl-2,4,6-trimethylanilino)-N-tert-butylacetamide
CID 113169988
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
CID 113172965
2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113178011
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
CID 113179224
2-(N-acetyl-2,3-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113168914
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide (CID 113178016) is 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide is CC(=O)N(CC(=O)NC(C)(C)C)c1ccc(C)cc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide?
The InChIKey is JMYYLPSZTCUQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-6-7-13(12(16)8-10)18(11(2)19)9-14(20)17-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,20).
What are the key properties of 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide?
2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide has a molecular weight of 341.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113178016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).