ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate

C18H29NO2 — CID 82351797

IUPACethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-6-19-16(13-17(20)21-7-2)12-14-8-10-15(11-9-14)18(3,4)5/h8-11,16,19H,6-7,12-13H2,1-5H3
InChIKeyBIUCPXYNCZMAKP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.46
Rot. Bonds7

About ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate

ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate (PubChem CID 82351797) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
PubChem CID82351797
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-6-19-16(13-17(20)21-7-2)12-14-8-10-15(11-9-14)18(3,4)5/h8-11,16,19H,6-7,12-13H2,1-5H3
InChIKeyBIUCPXYNCZMAKP-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-tert-butylphenyl)-3-(methylamino)butanoate
CID 82351798
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
CID 82351733
ethyl (3S)-4-(4-tert-butylphenyl)-3-hydroxybutanoate
CID 125465976
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699
diethyl 2-[(4-tert-butylphenyl)methyl]propanedioate
CID 15767037
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 55108520
ethyl 3-(4-tert-butylphenyl)-3-(propylamino)propanoate
CID 65235735
ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 82351940
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate?
The IUPAC name of ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate (CID 82351797) is ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate.
What is the SMILES notation for ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate?
The canonical SMILES for ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate is CCNC(CC(=O)OCC)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate?
The InChIKey is BIUCPXYNCZMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-19-16(13-17(20)21-7-2)12-14-8-10-15(11-9-14)18(3,4)5/h8-11,16,19H,6-7,12-13H2,1-5H3.
What are the key properties of ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate?
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate has a molecular weight of 291.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate is sourced from PubChem (CID 82351797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).