(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide

C13H19BrN2O2 — CID 54967646

IUPAC(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(Br)cc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)11(15)12(17)16-9-7-8(14)5-6-10(9)18-4/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyCFLYGKJSHULHDO-LLVKDONJSA-N
MW315.21 g/mol
LogP2.77
Rot. Bonds3

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

(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 54967646) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
PubChem CID54967646
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(Br)cc1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)11(15)12(17)16-9-7-8(14)5-6-10(9)18-4/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyCFLYGKJSHULHDO-LLVKDONJSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
CID 113288456
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
CID 115180249
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
CID 103413783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide (CID 54967646) is (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide is COc1ccc(Br)cc1NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is CFLYGKJSHULHDO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,3)11(15)12(17)16-9-7-8(14)5-6-10(9)18-4/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 315.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 54967646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).