methyl 2-ethyl-2-(2-methoxyanilino)butanoate

C14H21NO3 — CID 54890267

IUPACmethyl 2-ethyl-2-(2-methoxyanilino)butanoate
SMILESCCC(CC)(Nc1ccccc1OC)C(=O)OC
InChIInChI=1S/C14H21NO3/c1-5-14(6-2,13(16)18-4)15-11-9-7-8-10-12(11)17-3/h7-10,15H,5-6H2,1-4H3
InChIKeyMOGOYRZUAKKYHM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds6

About methyl 2-ethyl-2-(2-methoxyanilino)butanoate

methyl 2-ethyl-2-(2-methoxyanilino)butanoate (PubChem CID 54890267) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-ethyl-2-(2-methoxyanilino)butanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-(2-methoxyanilino)butanoate
PubChem CID54890267
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-ethyl-2-(2-methoxyanilino)butanoate
SMILESCCC(CC)(Nc1ccccc1OC)C(=O)OC
InChIInChI=1S/C14H21NO3/c1-5-14(6-2,13(16)18-4)15-11-9-7-8-10-12(11)17-3/h7-10,15H,5-6H2,1-4H3
InChIKeyMOGOYRZUAKKYHM-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-2-(2-methoxyanilino)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

ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
CID 60993162
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
2-(2-methoxyanilino)-2-propylpentanoic acid
CID 60993872
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
methyl 2-ethyl-2-(4-methylanilino)butanoate
CID 54889628
methyl 2-ethyl-2-(2-fluoroanilino)-4-methylhexanoate
CID 60993327
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-(2-methoxyanilino)butanoate?
The IUPAC name of methyl 2-ethyl-2-(2-methoxyanilino)butanoate (CID 54890267) is methyl 2-ethyl-2-(2-methoxyanilino)butanoate.
What is the SMILES notation for methyl 2-ethyl-2-(2-methoxyanilino)butanoate?
The canonical SMILES for methyl 2-ethyl-2-(2-methoxyanilino)butanoate is CCC(CC)(Nc1ccccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-(2-methoxyanilino)butanoate?
The InChIKey is MOGOYRZUAKKYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-14(6-2,13(16)18-4)15-11-9-7-8-10-12(11)17-3/h7-10,15H,5-6H2,1-4H3.
What are the key properties of methyl 2-ethyl-2-(2-methoxyanilino)butanoate?
methyl 2-ethyl-2-(2-methoxyanilino)butanoate has a molecular weight of 251.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-(2-methoxyanilino)butanoate is sourced from PubChem (CID 54890267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).