ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate

C15H23NO4 — CID 62337690

IUPACethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCOc1cccc(OCC)c1
InChIInChI=1S/C15H23NO4/c1-4-18-12-7-6-8-13(11-12)20-10-9-15(3,16)14(17)19-5-2/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeySOBKKQNIFUXFPT-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.13
Rot. Bonds8

About ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate

ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate (PubChem CID 62337690) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
PubChem CID62337690
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCOc1cccc(OCC)c1
InChIInChI=1S/C15H23NO4/c1-4-18-12-7-6-8-13(11-12)20-10-9-15(3,16)14(17)19-5-2/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeySOBKKQNIFUXFPT-UHFFFAOYSA-N
XLogP2.13
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62336178
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
CID 62336916
methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
CID 62337488
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
CID 140570358
5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 62337288
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate?
The IUPAC name of ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate (CID 62337690) is ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate?
The canonical SMILES for ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate is CCOC(=O)C(C)(N)CCOc1cccc(OCC)c1.
What is the InChIKey of ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate?
The InChIKey is SOBKKQNIFUXFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-18-12-7-6-8-13(11-12)20-10-9-15(3,16)14(17)19-5-2/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate?
ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate has a molecular weight of 281.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate is sourced from PubChem (CID 62337690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).