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

C16H25NO3 — CID 63034432

IUPACethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
SMILESCCNC(CCOc1ccccc1CC)C(=O)OCC
InChIInChI=1S/C16H25NO3/c1-4-13-9-7-8-10-15(13)20-12-11-14(17-5-2)16(18)19-6-3/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyJXLBCFCMGAVMKW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.56
Rot. Bonds9

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

ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate (PubChem CID 63034432) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
PubChem CID63034432
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
SMILESCCNC(CCOc1ccccc1CC)C(=O)OCC
InChIInChI=1S/C16H25NO3/c1-4-13-9-7-8-10-15(13)20-12-11-14(17-5-2)16(18)19-6-3/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyJXLBCFCMGAVMKW-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
CID 63038782
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911
4-(2-ethylphenoxy)butanamide
CID 82040636
ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 171703945

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate (CID 63034432) is ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate is CCNC(CCOc1ccccc1CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
The InChIKey is JXLBCFCMGAVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-13-9-7-8-10-15(13)20-12-11-14(17-5-2)16(18)19-6-3/h7-10,14,17H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate?
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate has a molecular weight of 279.38 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate is sourced from PubChem (CID 63034432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).