2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide

C13H19BrN2O — CID 76887238

IUPAC2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1ccc(Br)cc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H19BrN2O/c1-8-5-6-9(14)7-10(8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)
InChIKeyIOCDPJLEZFVWIA-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.07
Rot. Bonds2

About 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide

2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 76887238) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
PubChem CID76887238
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1ccc(Br)cc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H19BrN2O/c1-8-5-6-9(14)7-10(8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)
InChIKeyIOCDPJLEZFVWIA-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
CID 113288456
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide (CID 76887238) is 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide is Cc1ccc(Br)cc1NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is IOCDPJLEZFVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8-5-6-9(14)7-10(8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide?
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76887238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).