methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate

C16H25NO4 — CID 63033883

IUPACmethyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
SMILESCCCOc1ccc(OCCC(NCC)C(=O)OC)cc1
InChIInChI=1S/C16H25NO4/c1-4-11-20-13-6-8-14(9-7-13)21-12-10-15(17-5-2)16(18)19-3/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyXODFIPQQOOATMD-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.40
Rot. Bonds10

About methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate

methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate (PubChem CID 63033883) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
PubChem CID63033883
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
SMILESCCCOc1ccc(OCCC(NCC)C(=O)OC)cc1
InChIInChI=1S/C16H25NO4/c1-4-11-20-13-6-8-14(9-7-13)21-12-10-15(17-5-2)16(18)19-3/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyXODFIPQQOOATMD-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

methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
2-(ethylamino)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 63033346
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
CID 55084996
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
CID 102432999
2-(ethylamino)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040484

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate (CID 63033883) is methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate is CCCOc1ccc(OCCC(NCC)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate?
The InChIKey is XODFIPQQOOATMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-11-20-13-6-8-14(9-7-13)21-12-10-15(17-5-2)16(18)19-3/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate?
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)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 methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate is sourced from PubChem (CID 63033883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).