2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide

C11H15BrN2O3 — CID 115179710

IUPAC2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C(N)CO
InChIInChI=1S/C11H15BrN2O3/c1-14(11(16)8(13)6-15)9-5-7(12)3-4-10(9)17-2/h3-5,8,15H,6,13H2,1-2H3
InChIKeyBCTUASRQOVTLMM-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide

2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115179710) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115179710
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C(N)CO
InChIInChI=1S/C11H15BrN2O3/c1-14(11(16)8(13)6-15)9-5-7(12)3-4-10(9)17-2/h3-5,8,15H,6,13H2,1-2H3
InChIKeyBCTUASRQOVTLMM-UHFFFAOYSA-N
XLogP0.74
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186443
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
CID 115153548
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 115166038
N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
CID 115162399
N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167730
3-amino-4-(2-methoxy-N,5-dimethylanilino)-4-oxobutanoic acid
CID 115181262
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide (CID 115179710) is 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide is COc1ccc(Br)cc1N(C)C(=O)C(N)CO.
What is the InChIKey of 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is BCTUASRQOVTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-14(11(16)8(13)6-15)9-5-7(12)3-4-10(9)17-2/h3-5,8,15H,6,13H2,1-2H3.
What are the key properties of 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide?
2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 303.16 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115179710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).