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

C12H17BrN2O3 — CID 115180644

IUPAC3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C(O)CN
InChIInChI=1S/C12H17BrN2O3/c1-15(12(17)10(16)6-14)7-8-5-9(13)3-4-11(8)18-2/h3-5,10,16H,6-7,14H2,1-2H3
InChIKeyCKPQRRMFSNTREB-UHFFFAOYSA-N
MW317.18 g/mol
LogP0.74
Rot. Bonds5

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

3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide (PubChem CID 115180644) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
PubChem CID115180644
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)C(O)CN
InChIInChI=1S/C12H17BrN2O3/c1-15(12(17)10(16)6-14)7-8-5-9(13)3-4-11(8)18-2/h3-5,10,16H,6-7,14H2,1-2H3
InChIKeyCKPQRRMFSNTREB-UHFFFAOYSA-N
XLogP0.74
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
CID 103830977
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide (CID 115180644) is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide is COc1ccc(Br)cc1CN(C)C(=O)C(O)CN.
What is the InChIKey of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is CKPQRRMFSNTREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-15(12(17)10(16)6-14)7-8-5-9(13)3-4-11(8)18-2/h3-5,10,16H,6-7,14H2,1-2H3.
What are the key properties of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide?
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 317.18 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115180644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).