ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate

C14H19NO4 — CID 156541205

IUPACethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H19NO4/c1-4-18-13(17)14(2,3)19-11-7-5-10(6-8-11)9-12(15)16/h5-8H,4,9H2,1-3H3,(H2,15,16)
InChIKeyZLVMZFONKMAORO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds6

About ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate

ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate (PubChem CID 156541205) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
PubChem CID156541205
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H19NO4/c1-4-18-13(17)14(2,3)19-11-7-5-10(6-8-11)9-12(15)16/h5-8H,4,9H2,1-3H3,(H2,15,16)
InChIKeyZLVMZFONKMAORO-UHFFFAOYSA-N
XLogP1.43
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-[4-(aminomethyl)phenoxy]-2-methylpropanoate;ethyl propanoate
CID 159171684
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
ethyl 2-methyl-2-[4-(3-oxopent-1-ynyl)phenoxy]propanoate
CID 21494895
ethyl 2-(4-ethynylphenoxy)-2-methylpropanoate
CID 21494890
ethyl 2-methyl-2-[4-[2-(2-phenylethylamino)ethyl]phenoxy]propanoate
CID 59298851
ethyl 2-[4-(6-hydrazinyl-6-oxohexyl)phenoxy]-2-methylpropanoate
CID 59015968
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
ethyl 2-methyl-2-[4-[4-[2-[(4-methylbenzoyl)amino]ethyl]phenyl]phenoxy]propanoate
CID 21451956
ethyl 2-methyl-2-[4-[2-(3-phenylpropylamino)ethyl]phenoxy]propanoate
CID 69099777

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate (CID 156541205) is ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(CC(N)=O)cc1.
What is the InChIKey of ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate?
The InChIKey is ZLVMZFONKMAORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-13(17)14(2,3)19-11-7-5-10(6-8-11)9-12(15)16/h5-8H,4,9H2,1-3H3,(H2,15,16).
What are the key properties of ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate?
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate has a molecular weight of 265.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 156541205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).