(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide

C13H19BrN2O — CID 103928385

IUPAC(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)11(15)12(17)16-8-9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyLKFZEOVBOGHNNK-NSHDSACASA-N
MW299.21 g/mol
LogP2.44
Rot. Bonds3

About (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 103928385) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
PubChem CID103928385
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)11(15)12(17)16-8-9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyLKFZEOVBOGHNNK-NSHDSACASA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
methyl 4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 61274721
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119867271
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713155
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylbutanamide
CID 76893522
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide (CID 103928385) is (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is LKFZEOVBOGHNNK-NSHDSACASA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(2,3)11(15)12(17)16-8-9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).