(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide

C16H25BrN2O — CID 119767554

IUPAC(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
SMILESCC(C)(CNC(=O)[C@@H](N)C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-15(2,3)13(18)14(20)19-10-16(4,5)11-7-6-8-12(17)9-11/h6-9,13H,10,18H2,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyXEJCDOGGCBYFEY-CYBMUJFWSA-N
MW341.29 g/mol
LogP3.22
Rot. Bonds4

About (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide (PubChem CID 119767554) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
PubChem CID119767554
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
SMILESCC(C)(CNC(=O)[C@@H](N)C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-15(2,3)13(18)14(20)19-10-16(4,5)11-7-6-8-12(17)9-11/h6-9,13H,10,18H2,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyXEJCDOGGCBYFEY-CYBMUJFWSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-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-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180213
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
3-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164417
1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591285
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-2-phenylacetamide
CID 119308143
N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183179
3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 60621665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide (CID 119767554) is (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide is CC(C)(CNC(=O)[C@@H](N)C(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide?
The InChIKey is XEJCDOGGCBYFEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-15(2,3)13(18)14(20)19-10-16(4,5)11-7-6-8-12(17)9-11/h6-9,13H,10,18H2,1-5H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide has a molecular weight of 341.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119767554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).