methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate

C14H19NO4 — CID 65441985

IUPACmethyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
SMILESCOC(=O)C(COc1c(C)cccc1C)NC(C)=O
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)19-8-12(14(17)18-4)15-11(3)16/h5-7,12H,8H2,1-4H3,(H,15,16)
InChIKeyMPYIWPSTPZLPTP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds5

About methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate

methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate (PubChem CID 65441985) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
PubChem CID65441985
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
SMILESCOC(=O)C(COc1c(C)cccc1C)NC(C)=O
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)19-8-12(14(17)18-4)15-11(3)16/h5-7,12H,8H2,1-4H3,(H,15,16)
InChIKeyMPYIWPSTPZLPTP-UHFFFAOYSA-N
XLogP1.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
methyl 2-acetamido-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103288839
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine
CID 67982229
methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
CID 65443788
methyl (2S)-2-acetamido-3-(2-ethyl-6-methylphenyl)propanoate
CID 11507224
methyl 2-acetamido-3-(3-propan-2-ylphenoxy)propanoate
CID 65442173
methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate
CID 65473235
methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide
CID 120992421
methyl 2-acetamido-3-(4-butylphenoxy)propanoate
CID 115492132

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate (CID 65441985) is methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate is COC(=O)C(COc1c(C)cccc1C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate?
The InChIKey is MPYIWPSTPZLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)19-8-12(14(17)18-4)15-11(3)16/h5-7,12H,8H2,1-4H3,(H,15,16).
What are the key properties of methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate?
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate is sourced from PubChem (CID 65441985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).