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

C14H21NO2 — CID 115232358

IUPACmethyl 3-(N,2,3,4-tetramethylanilino)propanoate
SMILESCOC(=O)CCN(C)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-10-6-7-13(12(3)11(10)2)15(4)9-8-14(16)17-5/h6-7H,8-9H2,1-5H3
InChIKeyFOFQJRGQPOBIGH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.61
Rot. Bonds4

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

methyl 3-(N,2,3,4-tetramethylanilino)propanoate (PubChem CID 115232358) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 3-(N,2,3,4-tetramethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(N,2,3,4-tetramethylanilino)propanoate
PubChem CID115232358
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 3-(N,2,3,4-tetramethylanilino)propanoate
SMILESCOC(=O)CCN(C)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-10-6-7-13(12(3)11(10)2)15(4)9-8-14(16)17-5/h6-7H,8-9H2,1-5H3
InChIKeyFOFQJRGQPOBIGH-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

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Related Compounds

methyl 3-(N,2,4,6-tetramethylanilino)propanoate
CID 115232284
methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
methyl 3-(2-carbamothioyl-N,5-dimethylanilino)propanoate
CID 62302439
methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
CID 117029474
methyl 3-(2-carbamothioyl-4-fluoro-N-methylanilino)propanoate
CID 63672514
methyl 3-(4-chloro-N-methyl-2-nitroanilino)propanoate
CID 62005604
methyl 3-(4-fluoro-N-methyl-2-nitroanilino)propanoate
CID 62006157
methyl 3-(2-bromo-4-carbamothioyl-N-methylanilino)propanoate
CID 82804934
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
methyl 3-(5-chloro-N,2-dimethyl-4-nitroanilino)propanoate
CID 115556257

Frequently Asked Questions

What is the IUPAC name of methyl 3-(N,2,3,4-tetramethylanilino)propanoate?
The IUPAC name of methyl 3-(N,2,3,4-tetramethylanilino)propanoate (CID 115232358) is methyl 3-(N,2,3,4-tetramethylanilino)propanoate.
What is the SMILES notation for methyl 3-(N,2,3,4-tetramethylanilino)propanoate?
The canonical SMILES for methyl 3-(N,2,3,4-tetramethylanilino)propanoate is COC(=O)CCN(C)c1ccc(C)c(C)c1C.
What is the InChIKey of methyl 3-(N,2,3,4-tetramethylanilino)propanoate?
The InChIKey is FOFQJRGQPOBIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-7-13(12(3)11(10)2)15(4)9-8-14(16)17-5/h6-7H,8-9H2,1-5H3.
What are the key properties of methyl 3-(N,2,3,4-tetramethylanilino)propanoate?
methyl 3-(N,2,3,4-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,2,3,4-tetramethylanilino)propanoate is sourced from PubChem (CID 115232358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).