2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide

C13H19BrN2O — CID 76891825

IUPAC2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(NC(=O)C(N)C(C)(C)C)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-8-7-9(5-6-10(8)14)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)
InChIKeyXPVQAHROBQNGJI-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.07
Rot. Bonds2

About 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide

2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 76891825) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
PubChem CID76891825
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(NC(=O)C(N)C(C)(C)C)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-8-7-9(5-6-10(8)14)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)
InChIKeyXPVQAHROBQNGJI-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

(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802599
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide (CID 76891825) is 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide is Cc1cc(NC(=O)C(N)C(C)(C)C)ccc1Br.
What is the InChIKey of 2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is XPVQAHROBQNGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8-7-9(5-6-10(8)14)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-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide?
2-amino-N-(4-bromo-3-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-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76891825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).