3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide

C13H20N2O3 — CID 115180432

IUPAC3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide
SMILESCOc1cc(C)cc(C)c1N(C)C(=O)C(O)CN
InChIInChI=1S/C13H20N2O3/c1-8-5-9(2)12(11(6-8)18-4)15(3)13(17)10(16)7-14/h5-6,10,16H,7,14H2,1-4H3
InChIKeyRFFBJFVCLDAOOM-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.59
Rot. Bonds4

About 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide

3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide (PubChem CID 115180432) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide
PubChem CID115180432
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide
SMILESCOc1cc(C)cc(C)c1N(C)C(=O)C(O)CN
InChIInChI=1S/C13H20N2O3/c1-8-5-9(2)12(11(6-8)18-4)15(3)13(17)10(16)7-14/h5-6,10,16H,7,14H2,1-4H3
InChIKeyRFFBJFVCLDAOOM-UHFFFAOYSA-N
XLogP0.59
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide
CID 115153589
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774
N-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82496838
4-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylbutanamide
CID 115162917
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
CID 115180466
3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425
3-amino-2-hydroxy-1-(4-methoxy-2,3,6-trimethylphenyl)propan-1-one
CID 116826679

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide?
The IUPAC name of 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide (CID 115180432) is 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide is COc1cc(C)cc(C)c1N(C)C(=O)C(O)CN.
What is the InChIKey of 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide?
The InChIKey is RFFBJFVCLDAOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-5-9(2)12(11(6-8)18-4)15(3)13(17)10(16)7-14/h5-6,10,16H,7,14H2,1-4H3.
What are the key properties of 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide?
3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide is sourced from PubChem (CID 115180432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).