methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate

C14H21NO2 — CID 115128341

IUPACmethyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-7-8-12(11(2)9-10)15(5)14(3,4)13(16)17-6/h7-9H,1-6H3
InChIKeyDSOHQEQKEMNHDY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds3

About methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate

methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate (PubChem CID 115128341) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
PubChem CID115128341
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-7-8-12(11(2)9-10)15(5)14(3,4)13(16)17-6/h7-9H,1-6H3
InChIKeyDSOHQEQKEMNHDY-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462
2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
CID 115133229
methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate
CID 115128406
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
CID 115128321
methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128347
methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
CID 61002978

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate?
The IUPAC name of methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate (CID 115128341) is methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate is COC(=O)C(C)(C)N(C)c1ccc(C)cc1C.
What is the InChIKey of methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate?
The InChIKey is DSOHQEQKEMNHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-8-12(11(2)9-10)15(5)14(3,4)13(16)17-6/h7-9H,1-6H3.
What are the key properties of methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate?
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate is sourced from PubChem (CID 115128341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).