methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate

C14H21NO2 — CID 43398385

IUPACmethyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-11-5-7-13(8-6-11)10-15(3)9-12(2)14(16)17-4/h5-8,12H,9-10H2,1-4H3
InChIKeyCFVADQBEKMBQNV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate

methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate (PubChem CID 43398385) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
PubChem CID43398385
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-11-5-7-13(8-6-11)10-15(3)9-12(2)14(16)17-4/h5-8,12H,9-10H2,1-4H3
InChIKeyCFVADQBEKMBQNV-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate 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 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
CID 60966133
2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanethioamide
CID 43175002
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 123976999
methyl 3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoate
CID 62012083
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
methyl 3-[benzyl(hydroxy)amino]-2-methylpropanoate
CID 13358917

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate (CID 43398385) is methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate is COC(=O)C(C)CN(C)Cc1ccc(C)cc1.
What is the InChIKey of methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate?
The InChIKey is CFVADQBEKMBQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-7-13(8-6-11)10-15(3)9-12(2)14(16)17-4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate is sourced from PubChem (CID 43398385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).