methyl 3-(4-ethyl-3-methylanilino)butanoate

C14H21NO2 — CID 113357607

IUPACmethyl 3-(4-ethyl-3-methylanilino)butanoate
SMILESCCc1ccc(NC(C)CC(=O)OC)cc1C
InChIInChI=1S/C14H21NO2/c1-5-12-6-7-13(8-10(12)2)15-11(3)9-14(16)17-4/h6-8,11,15H,5,9H2,1-4H3
InChIKeyIQUSBYFSIGMADJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.92
Rot. Bonds5

About methyl 3-(4-ethyl-3-methylanilino)butanoate

methyl 3-(4-ethyl-3-methylanilino)butanoate (PubChem CID 113357607) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 3-(4-ethyl-3-methylanilino)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethyl-3-methylanilino)butanoate
PubChem CID113357607
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 3-(4-ethyl-3-methylanilino)butanoate
SMILESCCc1ccc(NC(C)CC(=O)OC)cc1C
InChIInChI=1S/C14H21NO2/c1-5-12-6-7-13(8-10(12)2)15-11(3)9-14(16)17-4/h6-8,11,15H,5,9H2,1-4H3
InChIKeyIQUSBYFSIGMADJ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4-ethyl-3-methylanilino)butanoate 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

methyl 3-(4-bromo-3-methylanilino)butanoate
CID 43536661
methyl 3-(4-ethylanilino)butanoate
CID 43536763
methyl (3R)-3-anilinobutanoate
CID 11333008
methyl 3-(4-ethylsulfonylanilino)butanoate
CID 114283860
methyl 3-(4-propan-2-yloxyanilino)butanoate
CID 43536837
3-(3,4-dimethylanilino)butanoic acid
CID 12999033
methyl 3-(3,5-dimethoxyanilino)butanoate
CID 43536667
methyl 3-(3-bromo-5-methylanilino)butanoate
CID 104938397
ethyl 3-(4-bromo-3-methoxyanilino)butanoate
CID 82867925
methyl 3-[4-bromo-3-(trifluoromethyl)anilino]butanoate
CID 64853587
2-(4-ethyl-3-methylanilino)propanenitrile
CID 130495587
methyl 3-(4-methoxy-2-methylanilino)butanoate
CID 62873162

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethyl-3-methylanilino)butanoate?
The IUPAC name of methyl 3-(4-ethyl-3-methylanilino)butanoate (CID 113357607) is methyl 3-(4-ethyl-3-methylanilino)butanoate.
What is the SMILES notation for methyl 3-(4-ethyl-3-methylanilino)butanoate?
The canonical SMILES for methyl 3-(4-ethyl-3-methylanilino)butanoate is CCc1ccc(NC(C)CC(=O)OC)cc1C.
What is the InChIKey of methyl 3-(4-ethyl-3-methylanilino)butanoate?
The InChIKey is IQUSBYFSIGMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-12-6-7-13(8-10(12)2)15-11(3)9-14(16)17-4/h6-8,11,15H,5,9H2,1-4H3.
What are the key properties of methyl 3-(4-ethyl-3-methylanilino)butanoate?
methyl 3-(4-ethyl-3-methylanilino)butanoate has a molecular weight of 235.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethyl-3-methylanilino)butanoate is sourced from PubChem (CID 113357607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).