ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate

C15H24N2O3 — CID 63040178

IUPACethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCOc1cccc(N(C)C)c1)NC
InChIInChI=1S/C15H24N2O3/c1-5-19-15(18)14(16-2)9-10-20-13-8-6-7-12(11-13)17(3)4/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeySSNXDNSKRSVFOE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.67
Rot. Bonds8

About ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate

ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate (PubChem CID 63040178) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
PubChem CID63040178
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCOc1cccc(N(C)C)c1)NC
InChIInChI=1S/C15H24N2O3/c1-5-19-15(18)14(16-2)9-10-20-13-8-6-7-12(11-13)17(3)4/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeySSNXDNSKRSVFOE-UHFFFAOYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 63039991
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
CID 64900161

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate (CID 63040178) is ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate is CCOC(=O)C(CCOc1cccc(N(C)C)c1)NC.
What is the InChIKey of ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate?
The InChIKey is SSNXDNSKRSVFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-19-15(18)14(16-2)9-10-20-13-8-6-7-12(11-13)17(3)4/h6-8,11,14,16H,5,9-10H2,1-4H3.
What are the key properties of ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate?
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate has a molecular weight of 280.37 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate is sourced from PubChem (CID 63040178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).