ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate

C16H25NO3 — CID 63038782

IUPACethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
SMILESCCNC(CCOc1ccc(C)cc1C)C(=O)OCC
InChIInChI=1S/C16H25NO3/c1-5-17-14(16(18)19-6-2)9-10-20-15-8-7-12(3)11-13(15)4/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyJSDVTQIIVUXBAF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds8

About ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate

ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate (PubChem CID 63038782) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
PubChem CID63038782
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
SMILESCCNC(CCOc1ccc(C)cc1C)C(=O)OCC
InChIInChI=1S/C16H25NO3/c1-5-17-14(16(18)19-6-2)9-10-20-15-8-7-12(3)11-13(15)4/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyJSDVTQIIVUXBAF-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
methyl 4-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039713
4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid
CID 112511294
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate
CID 63039742
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate?
The IUPAC name of ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate (CID 63038782) is ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate.
What is the SMILES notation for ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate?
The canonical SMILES for ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate is CCNC(CCOc1ccc(C)cc1C)C(=O)OCC.
What is the InChIKey of ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate?
The InChIKey is JSDVTQIIVUXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-17-14(16(18)19-6-2)9-10-20-15-8-7-12(3)11-13(15)4/h7-8,11,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate?
ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate has a molecular weight of 279.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate is sourced from PubChem (CID 63038782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).