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

C15H23NO2 — CID 60787029

IUPACethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate
SMILESCCNC(CC)(C(=O)OCC)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-5-15(16-6-2,14(17)18-7-3)13-10-8-12(4)9-11-13/h8-11,16H,5-7H2,1-4H3
InChIKeyQLDBRHRZXPQJDY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds6

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

ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate (PubChem CID 60787029) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate
PubChem CID60787029
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate
SMILESCCNC(CC)(C(=O)OCC)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-5-15(16-6-2,14(17)18-7-3)13-10-8-12(4)9-11-13/h8-11,16H,5-7H2,1-4H3
InChIKeyQLDBRHRZXPQJDY-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
ethyl 2-(4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997637
ethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997877
ethyl 2,2-dichloro-2-(4-methylphenyl)acetate
CID 54230467
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506
ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
CID 117047921
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
CID 60787687
3-(ethylamino)-3-(4-methylphenyl)butanoic acid
CID 65236813
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate
CID 60797022
2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate (CID 60787029) is ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate is CCNC(CC)(C(=O)OCC)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate?
The InChIKey is QLDBRHRZXPQJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-15(16-6-2,14(17)18-7-3)13-10-8-12(4)9-11-13/h8-11,16H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate?
ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate has a molecular weight of 249.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate is sourced from PubChem (CID 60787029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).