methyl 3-(N,2,4,6-tetramethylanilino)propanoate

C14H21NO2 — CID 115232284

IUPACmethyl 3-(N,2,4,6-tetramethylanilino)propanoate
SMILESCOC(=O)CCN(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-8-11(2)14(12(3)9-10)15(4)7-6-13(16)17-5/h8-9H,6-7H2,1-5H3
InChIKeyXTYZYSHIHDGNLJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.61
Rot. Bonds4

About methyl 3-(N,2,4,6-tetramethylanilino)propanoate

methyl 3-(N,2,4,6-tetramethylanilino)propanoate (PubChem CID 115232284) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 3-(N,2,4,6-tetramethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(N,2,4,6-tetramethylanilino)propanoate
PubChem CID115232284
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 3-(N,2,4,6-tetramethylanilino)propanoate
SMILESCOC(=O)CCN(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-8-11(2)14(12(3)9-10)15(4)7-6-13(16)17-5/h8-9H,6-7H2,1-5H3
InChIKeyXTYZYSHIHDGNLJ-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(N,2,4,6-tetramethylanilino)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(N,2,4,6-tetramethylanilino)propanoate?
The IUPAC name of methyl 3-(N,2,4,6-tetramethylanilino)propanoate (CID 115232284) is methyl 3-(N,2,4,6-tetramethylanilino)propanoate.
What is the SMILES notation for methyl 3-(N,2,4,6-tetramethylanilino)propanoate?
The canonical SMILES for methyl 3-(N,2,4,6-tetramethylanilino)propanoate is COC(=O)CCN(C)c1c(C)cc(C)cc1C.
What is the InChIKey of methyl 3-(N,2,4,6-tetramethylanilino)propanoate?
The InChIKey is XTYZYSHIHDGNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-8-11(2)14(12(3)9-10)15(4)7-6-13(16)17-5/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl 3-(N,2,4,6-tetramethylanilino)propanoate?
methyl 3-(N,2,4,6-tetramethylanilino)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(N,2,4,6-tetramethylanilino)propanoate is sourced from PubChem (CID 115232284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).