3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide

C13H20N2O3 — CID 115180522

IUPAC3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)C(O)CN
InChIInChI=1S/C13H20N2O3/c1-8-4-10(12(18-3)5-9(8)2)7-15-13(17)11(16)6-14/h4-5,11,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyJDYVASDFIFKUNQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.25
Rot. Bonds5

About 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide

3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide (PubChem CID 115180522) 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-4,5-dimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide
PubChem CID115180522
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)C(O)CN
InChIInChI=1S/C13H20N2O3/c1-8-4-10(12(18-3)5-9(8)2)7-15-13(17)11(16)6-14/h4-5,11,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyJDYVASDFIFKUNQ-UHFFFAOYSA-N
XLogP0.25
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115153646
2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
CID 115186970
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
3-amino-2-hydroxy-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115180595
3-amino-2-hydroxy-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 115180554
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
3-amino-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-2-hydroxypropanamide
CID 115180756
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propanoic acid
CID 115240667
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide (CID 115180522) is 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide is COc1cc(C)c(C)cc1CNC(=O)C(O)CN.
What is the InChIKey of 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide?
The InChIKey is JDYVASDFIFKUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-4-10(12(18-3)5-9(8)2)7-15-13(17)11(16)6-14/h4-5,11,16H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide?
3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115180522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).