ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate

C16H25NO4 — CID 63041590

IUPACethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOc1ccccc1OC)C(=O)OCC
InChIInChI=1S/C16H25NO4/c1-4-11-17-13(16(18)20-5-2)10-12-21-15-9-7-6-8-14(15)19-3/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyKTZWYVGTMWHJJZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.40
Rot. Bonds10

About ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate

ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate (PubChem CID 63041590) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
PubChem CID63041590
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOc1ccccc1OC)C(=O)OCC
InChIInChI=1S/C16H25NO4/c1-4-11-17-13(16(18)20-5-2)10-12-21-15-9-7-6-8-14(15)19-3/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyKTZWYVGTMWHJJZ-UHFFFAOYSA-N
XLogP2.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911
ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
CID 102983852
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
4-(2-methyl-3-nitrophenoxy)-2-(propylamino)butanamide
CID 63041100
4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
CID 63039148

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate (CID 63041590) is ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate is CCCNC(CCOc1ccccc1OC)C(=O)OCC.
What is the InChIKey of ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate?
The InChIKey is KTZWYVGTMWHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-11-17-13(16(18)20-5-2)10-12-21-15-9-7-6-8-14(15)19-3/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate?
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate has a molecular weight of 295.38 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate is sourced from PubChem (CID 63041590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).