2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide

C12H17BrN2O — CID 79810570

IUPAC2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-4-12(3,14)11(16)15-9-6-5-8(2)10(13)7-9/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyREPRSQYWNZXUBD-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide

2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide (PubChem CID 79810570) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
PubChem CID79810570
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-4-12(3,14)11(16)15-9-6-5-8(2)10(13)7-9/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyREPRSQYWNZXUBD-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
3-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967044
2-amino-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79789969

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide (CID 79810570) is 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide?
The InChIKey is REPRSQYWNZXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-4-12(3,14)11(16)15-9-6-5-8(2)10(13)7-9/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide?
2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 79810570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).