methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate

C15H23NO2 — CID 79392498

IUPACmethyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate
SMILESCOC(=O)C(C)C(C)NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-10-6-8-14(9-7-10)13(4)16-12(3)11(2)15(17)18-5/h6-9,11-13,16H,1-5H3
InChIKeySBSAITPPFDZROM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds5

About methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate

methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate (PubChem CID 79392498) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate
PubChem CID79392498
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate
SMILESCOC(=O)C(C)C(C)NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-10-6-8-14(9-7-10)13(4)16-12(3)11(2)15(17)18-5/h6-9,11-13,16H,1-5H3
InChIKeySBSAITPPFDZROM-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]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-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
CID 43732410
methyl 3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylbutanoate
CID 81365512
methyl 2-methyl-3-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 81404347
methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 79391111
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886
methyl 2-methyl-3-[(4-methylphenyl)methylamino]butanoate
CID 79391621
dimethyl 2-[1-(4-methylphenyl)ethyl]propanedioate
CID 141073428
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
methyl 2-hydroxy-3-(4-methylphenyl)butanoate
CID 66289000
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate?
The IUPAC name of methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate (CID 79392498) is methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate is COC(=O)C(C)C(C)NC(C)c1ccc(C)cc1.
What is the InChIKey of methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate?
The InChIKey is SBSAITPPFDZROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-6-8-14(9-7-10)13(4)16-12(3)11(2)15(17)18-5/h6-9,11-13,16H,1-5H3.
What are the key properties of methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate?
methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate has a molecular weight of 249.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate is sourced from PubChem (CID 79392498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).