methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate

C20H23NO4 — CID 171042122

IUPACmethyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
SMILESCOC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)ccc(O)c1C
InChIInChI=1S/C20H23NO4/c1-13-10-11-17(22)14(2)19(13)21(15(3)20(24)25-4)18(23)12-16-8-6-5-7-9-16/h5-11,15,22H,12H2,1-4H3
InChIKeyVDALXZVEUBNREU-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.15
Rot. Bonds5

About methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate

methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate (PubChem CID 171042122) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
PubChem CID171042122
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
SMILESCOC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)ccc(O)c1C
InChIInChI=1S/C20H23NO4/c1-13-10-11-17(22)14(2)19(13)21(15(3)20(24)25-4)18(23)12-16-8-6-5-7-9-16/h5-11,15,22H,12H2,1-4H3
InChIKeyVDALXZVEUBNREU-UHFFFAOYSA-N
XLogP3.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3'-Hydroxyropivacaine
CID 24892799
methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 76543038
7-Hydroxy-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-1,4-dimethylquinolin-2-one
CID 168288478
7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1,4-dimethylquinolin-2-one
CID 168290406
3-Hydroxyropivacaine
CID 93486072
N-(3-Hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 10379478
Methyl 2-[4-[4-[butanoyl(ethyl)amino]-2-fluorophenyl]piperazin-1-yl]-2-(4-hydroxyphenyl)acetate
CID 90696314
tert-butyl 2-(3-hydroxy-N-[2-methyl-6-(trifluoromethyl)benzoyl]anilino)acetate
CID 143091154
2-methylpropyl 2-(3-hydroxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
CID 143091177
methyl (2S)-2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 57493569
2-Piperidinecarboxamide, 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)-
CID 10380335
N-[2-(Hydroxymethyl)-6-methylphenyl]-N-(2-phenylacetyl)alanine methyl ester
CID 13751498

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
The IUPAC name of methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate (CID 171042122) is methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate.
What is the SMILES notation for methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
The canonical SMILES for methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)ccc(O)c1C.
What is the InChIKey of methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
The InChIKey is VDALXZVEUBNREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-10-11-17(22)14(2)19(13)21(15(3)20(24)25-4)18(23)12-16-8-6-5-7-9-16/h5-11,15,22H,12H2,1-4H3.
What are the key properties of methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is sourced from PubChem (CID 171042122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).