ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate

C15H21NO5 — CID 59442324

IUPACethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OC1CCOCC1
InChIInChI=1S/C15H21NO5/c1-2-19-15(17)10-20-14-9-11(16)3-4-13(14)21-12-5-7-18-8-6-12/h3-4,9,12H,2,5-8,10,16H2,1H3
InChIKeyKWEWXGROMUKZMI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.77
Rot. Bonds6

About ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate

ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate (PubChem CID 59442324) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
PubChem CID59442324
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Nameethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OC1CCOCC1
InChIInChI=1S/C15H21NO5/c1-2-19-15(17)10-20-14-9-11(16)3-4-13(14)21-12-5-7-18-8-6-12/h3-4,9,12H,2,5-8,10,16H2,1H3
InChIKeyKWEWXGROMUKZMI-UHFFFAOYSA-N
XLogP1.77
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
CID 59442440
4-(oxan-4-yloxy)-3-phenylmethoxyaniline
CID 146026850
ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
CID 59442207
ethane;ethyl 2-[4-amino-3-(oxan-4-ylamino)phenoxy]acetate;molecular hydrogen;hydrate
CID 144774801
ethyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
CID 117495301
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
methyl 4-(5-amino-2-cyclopentyloxyphenoxy)-3-methylbutanoate
CID 59066570
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047
ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate
CID 174174957
ethyl 2-[3-(oxan-4-yloxy)phenyl]-2-oxoacetate
CID 117445953

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate?
The IUPAC name of ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate (CID 59442324) is ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate?
The canonical SMILES for ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate is CCOC(=O)COc1cc(N)ccc1OC1CCOCC1.
What is the InChIKey of ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate?
The InChIKey is KWEWXGROMUKZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-2-19-15(17)10-20-14-9-11(16)3-4-13(14)21-12-5-7-18-8-6-12/h3-4,9,12H,2,5-8,10,16H2,1H3.
What are the key properties of ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate?
ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate has a molecular weight of 295.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate is sourced from PubChem (CID 59442324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).