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

C15H23NO2 — CID 82351703

IUPACethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-16-14(11-15(17)18-5-2)10-13-8-6-12(3)7-9-13/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyCLLZHXKVQNTVLJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.47
Rot. Bonds7

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

ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate (PubChem CID 82351703) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
PubChem CID82351703
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-16-14(11-15(17)18-5-2)10-13-8-6-12(3)7-9-13/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyCLLZHXKVQNTVLJ-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
CID 82351733
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
CID 82351797
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-(4-methylanilino)hexanoate
CID 155464444
4-(4-methylphenyl)-3-(pentylamino)butanoic acid
CID 82350428
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate?
The IUPAC name of ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate (CID 82351703) is ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate?
The canonical SMILES for ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate is CCNC(CC(=O)OCC)Cc1ccc(C)cc1.
What is the InChIKey of ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate?
The InChIKey is CLLZHXKVQNTVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16-14(11-15(17)18-5-2)10-13-8-6-12(3)7-9-13/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate?
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate has a molecular weight of 249.35 g/mol, XLogP of 2.47, 7 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-methylphenyl)butanoate is sourced from PubChem (CID 82351703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).