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

C15H23NO3 — CID 63039162

IUPACmethyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
SMILESCCNC(CCOc1ccc(CC)cc1)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-12-6-8-13(9-7-12)19-11-10-14(16-5-2)15(17)18-3/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyDYUPVSYPFROHGI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds8

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

methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate (PubChem CID 63039162) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
PubChem CID63039162
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
SMILESCCNC(CCOc1ccc(CC)cc1)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-12-6-8-13(9-7-12)19-11-10-14(16-5-2)15(17)18-3/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyDYUPVSYPFROHGI-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
methyl 2-(ethylamino)-4-(4-nitrophenoxy)butanoate
CID 63041490
2-(ethylamino)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 63033346
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
methyl 4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanoate
CID 63041495
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
CID 55084996
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
CID 102432999

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate (CID 63039162) is methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate is CCNC(CCOc1ccc(CC)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate?
The InChIKey is DYUPVSYPFROHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12-6-8-13(9-7-12)19-11-10-14(16-5-2)15(17)18-3/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate?
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate is sourced from PubChem (CID 63039162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).