methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate

C14H19NO5 — CID 102432999

IUPACmethyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
SMILESCOC(=O)C(CCOc1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C14H19NO5/c1-10(16)15-13(14(17)19-3)8-9-20-12-6-4-11(18-2)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,15,16)
InChIKeyOPMLIXSAHLLYMY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.14
Rot. Bonds7

About methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate

methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate (PubChem CID 102432999) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
PubChem CID102432999
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
SMILESCOC(=O)C(CCOc1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C14H19NO5/c1-10(16)15-13(14(17)19-3)8-9-20-12-6-4-11(18-2)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,15,16)
InChIKeyOPMLIXSAHLLYMY-UHFFFAOYSA-N
XLogP1.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate?
The IUPAC name of methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate (CID 102432999) is methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate is COC(=O)C(CCOc1ccc(OC)cc1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate?
The InChIKey is OPMLIXSAHLLYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(16)15-13(14(17)19-3)8-9-20-12-6-4-11(18-2)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate?
methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate has a molecular weight of 281.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 102432999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).