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

C15H23NO3 — CID 55143393

IUPACmethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
SMILESCCNC(CCOc1ccccc1CC)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-12-8-6-7-9-14(12)19-11-10-13(16-5-2)15(17)18-3/h6-9,13,16H,4-5,10-11H2,1-3H3
InChIKeyUXYCDSOOPZCAQP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds8

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

methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate (PubChem CID 55143393) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
PubChem CID55143393
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
SMILESCCNC(CCOc1ccccc1CC)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-12-8-6-7-9-14(12)19-11-10-13(16-5-2)15(17)18-3/h6-9,13,16H,4-5,10-11H2,1-3H3
InChIKeyUXYCDSOOPZCAQP-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

ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
4-(2-ethylphenoxy)butanamide
CID 82040636
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189
methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
CID 63034614
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
CID 63041617

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate (CID 55143393) is methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate is CCNC(CCOc1ccccc1CC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
The InChIKey is UXYCDSOOPZCAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12-8-6-7-9-14(12)19-11-10-13(16-5-2)15(17)18-3/h6-9,13,16H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
methyl 2-(ethylamino)-4-(2-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-(2-ethylphenoxy)butanoate is sourced from PubChem (CID 55143393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).