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

C15H23NO2 — CID 54889848

IUPACethyl 2-methyl-2-(4-methylanilino)pentanoate
SMILESCCCC(C)(Nc1ccc(C)cc1)C(=O)OCC
InChIInChI=1S/C15H23NO2/c1-5-11-15(4,14(17)18-6-2)16-13-9-7-12(3)8-10-13/h7-10,16H,5-6,11H2,1-4H3
InChIKeyOSXUAZJLLJFKNO-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.53
Rot. Bonds6

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

ethyl 2-methyl-2-(4-methylanilino)pentanoate (PubChem CID 54889848) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2-methyl-2-(4-methylanilino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(4-methylanilino)pentanoate
PubChem CID54889848
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2-methyl-2-(4-methylanilino)pentanoate
SMILESCCCC(C)(Nc1ccc(C)cc1)C(=O)OCC
InChIInChI=1S/C15H23NO2/c1-5-11-15(4,14(17)18-6-2)16-13-9-7-12(3)8-10-13/h7-10,16H,5-6,11H2,1-4H3
InChIKeyOSXUAZJLLJFKNO-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methyl-2-(4-methylanilino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-chloroanilino)-2-methylpentanoate
CID 54890839
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
ethyl 2-anilino-2-methylheptanoate
CID 80558019
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
methyl 2-methyl-2-(4-methylanilino)hex-5-enoate
CID 113437919
methyl 6,6,6-trifluoro-2-methyl-2-(4-methylanilino)hexanoate
CID 116535531
2-(4-methylanilino)-2-propylpentanamide
CID 54889215
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125
ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
2-anilino-2-methylpentanoic acid
CID 60992039
ethyl (2S)-2-(4-methoxyanilino)-2-methylpent-4-enoate
CID 24867811

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(4-methylanilino)pentanoate?
The IUPAC name of ethyl 2-methyl-2-(4-methylanilino)pentanoate (CID 54889848) is ethyl 2-methyl-2-(4-methylanilino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(4-methylanilino)pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(4-methylanilino)pentanoate is CCCC(C)(Nc1ccc(C)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-(4-methylanilino)pentanoate?
The InChIKey is OSXUAZJLLJFKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11-15(4,14(17)18-6-2)16-13-9-7-12(3)8-10-13/h7-10,16H,5-6,11H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(4-methylanilino)pentanoate?
ethyl 2-methyl-2-(4-methylanilino)pentanoate has a molecular weight of 249.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(4-methylanilino)pentanoate is sourced from PubChem (CID 54889848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).