methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

C15H21NO5 — CID 76543038

IUPACmethyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
SMILESCOCC(=O)N(c1c(C)ccc(O)c1C)C(C)C(=O)OC
InChIInChI=1S/C15H21NO5/c1-9-6-7-12(17)10(2)14(9)16(13(18)8-20-4)11(3)15(19)21-5/h6-7,11,17H,8H2,1-5H3
InChIKeySKNRMURHENGAJU-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds5

About methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate (PubChem CID 76543038) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
PubChem CID76543038
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
SMILESCOCC(=O)N(c1c(C)ccc(O)c1C)C(C)C(=O)OC
InChIInChI=1S/C15H21NO5/c1-9-6-7-12(17)10(2)14(9)16(13(18)8-20-4)11(3)15(19)21-5/h6-7,11,17H,8H2,1-5H3
InChIKeySKNRMURHENGAJU-UHFFFAOYSA-N
XLogP1.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxylidocaine
CID 161824
Methyl N-(2-(hydroxymethyl)-6-methylphenyl)-N-(methoxyacetyl)-DL-alanine
CID 20055269
[(6-Ethyl-3-hydroxy-2-methylphenyl)amino](oxo)acetic acid
CID 146678286
Methyl N-(2-(hydroxymethyl)-6-methylphenyl)-N-(methoxyacetyl)-L-alanine
CID 91280481
methyl (2S)-2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 57493569
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208624
Methyl N-(2-(hydroxymethyl)-6-methylphenyl)-N-(methoxyacetyl)-D-alanine
CID 121596364
Methyl N-[2-(hydroxymethyl)-6-methylphenyl]-N-[(4-hydroxyphenyl)acetyl]alaninate
CID 171042121
Methyl N-(3-hydroxy-2,6-dimethylphenyl)-N-(phenylacetyl)alaninate
CID 171042122
actinium;methyl 2-(6-hydroxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 21349867
N-(3-hydroxy-2,6-dimethylphenyl)-2-(2-hydroxyethylamino)acetamide
CID 53810595
3-Ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one
CID 54716421

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The IUPAC name of methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate (CID 76543038) is methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate.
What is the SMILES notation for methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The canonical SMILES for methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate is COCC(=O)N(c1c(C)ccc(O)c1C)C(C)C(=O)OC.
What is the InChIKey of methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The InChIKey is SKNRMURHENGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9-6-7-12(17)10(2)14(9)16(13(18)8-20-4)11(3)15(19)21-5/h6-7,11,17H,8H2,1-5H3.
What are the key properties of methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate has a molecular weight of 295.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate is sourced from PubChem (CID 76543038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).