3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide

C13H20N2O3 — CID 115180628

IUPAC3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(O)CN)cc1C
InChIInChI=1S/C13H20N2O3/c1-9-6-10(4-5-12(9)18-3)8-15(2)13(17)11(16)7-14/h4-6,11,16H,7-8,14H2,1-3H3
InChIKeyWPIJPFRCLFUJBM-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.28
Rot. Bonds5

About 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide

3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide (PubChem CID 115180628) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
PubChem CID115180628
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(O)CN)cc1C
InChIInChI=1S/C13H20N2O3/c1-9-6-10(4-5-12(9)18-3)8-15(2)13(17)11(16)7-14/h4-6,11,16H,7-8,14H2,1-3H3
InChIKeyWPIJPFRCLFUJBM-UHFFFAOYSA-N
XLogP0.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140765

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide (CID 115180628) is 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(O)CN)cc1C.
What is the InChIKey of 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide?
The InChIKey is WPIJPFRCLFUJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-6-10(4-5-12(9)18-3)8-15(2)13(17)11(16)7-14/h4-6,11,16H,7-8,14H2,1-3H3.
What are the key properties of 3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide?
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.28, 5 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-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 115180628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).