methyl 2-ethyl-2-(4-methylanilino)butanoate

C14H21NO2 — CID 54889628

IUPACmethyl 2-ethyl-2-(4-methylanilino)butanoate
SMILESCCC(CC)(Nc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C14H21NO2/c1-5-14(6-2,13(16)17-4)15-12-9-7-11(3)8-10-12/h7-10,15H,5-6H2,1-4H3
InChIKeyLNTBPORDYOYIBT-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.14
Rot. Bonds5

About methyl 2-ethyl-2-(4-methylanilino)butanoate

methyl 2-ethyl-2-(4-methylanilino)butanoate (PubChem CID 54889628) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-ethyl-2-(4-methylanilino)butanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-(4-methylanilino)butanoate
PubChem CID54889628
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-ethyl-2-(4-methylanilino)butanoate
SMILESCCC(CC)(Nc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C14H21NO2/c1-5-14(6-2,13(16)17-4)15-12-9-7-11(3)8-10-12/h7-10,15H,5-6H2,1-4H3
InChIKeyLNTBPORDYOYIBT-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chloroanilino)-2-ethylpentanoate
CID 114079648
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657
2-(4-methylanilino)-2-propylpentanamide
CID 54889215
methyl 2-[[2-chloro-2-(4-methylphenyl)acetyl]amino]-2-ethylbutanoate
CID 22104822
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
methyl 2-methyl-2-(4-methylanilino)hex-5-enoate
CID 113437919
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
2-(4-ethoxyanilino)-2-ethylbutanoic acid
CID 71564804
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-(4-methylanilino)butanoate?
The IUPAC name of methyl 2-ethyl-2-(4-methylanilino)butanoate (CID 54889628) is methyl 2-ethyl-2-(4-methylanilino)butanoate.
What is the SMILES notation for methyl 2-ethyl-2-(4-methylanilino)butanoate?
The canonical SMILES for methyl 2-ethyl-2-(4-methylanilino)butanoate is CCC(CC)(Nc1ccc(C)cc1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-(4-methylanilino)butanoate?
The InChIKey is LNTBPORDYOYIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(6-2,13(16)17-4)15-12-9-7-11(3)8-10-12/h7-10,15H,5-6H2,1-4H3.
What are the key properties of methyl 2-ethyl-2-(4-methylanilino)butanoate?
methyl 2-ethyl-2-(4-methylanilino)butanoate has a molecular weight of 235.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-(4-methylanilino)butanoate is sourced from PubChem (CID 54889628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).