ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate

C16H25NO2 — CID 82351733

IUPACethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc(CC)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-7-9-14(10-8-13)11-15(17-5-2)12-16(18)19-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyWBNMPGUNNDSVAB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds8

About ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate

ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate (PubChem CID 82351733) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
PubChem CID82351733
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc(CC)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-7-9-14(10-8-13)11-15(17-5-2)12-16(18)19-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyWBNMPGUNNDSVAB-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
CID 82351797
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699
ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 82351940
ethyl 4-(4-tert-butylphenyl)-3-(methylamino)butanoate
CID 82351798
methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
CID 82351429
4-(4-chlorophenyl)-3-(ethylamino)butanoic acid
CID 82350545
ethyl 3-(ethylamino)heptanoate
CID 65233712
ethyl 3-(butylamino)-4-(4-fluoro-3-methylphenyl)butanoate
CID 82351859
ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate
CID 82351745
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid
CID 82350787

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate?
The IUPAC name of ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate (CID 82351733) is ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate?
The canonical SMILES for ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate is CCNC(CC(=O)OCC)Cc1ccc(CC)cc1.
What is the InChIKey of ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate?
The InChIKey is WBNMPGUNNDSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13-7-9-14(10-8-13)11-15(17-5-2)12-16(18)19-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate?
ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate has a molecular weight of 263.38 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate is sourced from PubChem (CID 82351733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).