methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate

C14H20N2O3 — CID 103234166

IUPACmethyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
SMILESCOC(=O)C(CNc1ccc(C)c(C)c1)NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-9-5-6-12(7-10(9)2)15-8-13(14(18)19-4)16-11(3)17/h5-7,13,15H,8H2,1-4H3,(H,16,17)
InChIKeyILUWETNKKJVFKW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate

methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate (PubChem CID 103234166) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
PubChem CID103234166
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-acetamido-3-(3,4-dimethylanilino)propanoate
SMILESCOC(=O)C(CNc1ccc(C)c(C)c1)NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-9-5-6-12(7-10(9)2)15-8-13(14(18)19-4)16-11(3)17/h5-7,13,15H,8H2,1-4H3,(H,16,17)
InChIKeyILUWETNKKJVFKW-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(3,4-dimethoxyanilino)propanoate
CID 103232986
methyl 2-acetamido-3-(3,4-dicyanoanilino)propanoate
CID 107791353
methyl 2-acetamido-3-(4-propan-2-yloxyanilino)propanoate
CID 103236649
methyl 2-acetamido-3-(3-methylsulfanylanilino)propanoate
CID 103231474
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
methyl 2-acetamido-3-(4-bromo-2-methylanilino)propanoate
CID 103232313
methyl 2-acetamido-3-(4-butylanilino)propanoate
CID 103237589
methyl 2-acetamido-3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 65442211
methyl 3-(3-chloro-4-methylanilino)-2-methylpropanoate
CID 43538373
methyl 2-acetamido-3-(3,4-dimethylphenyl)sulfinylpropanoate
CID 65475192
methyl 2-acetamido-3-(4-fluoro-2-methoxyanilino)propanoate
CID 103245525
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate (CID 103234166) is methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate is COC(=O)C(CNc1ccc(C)c(C)c1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate?
The InChIKey is ILUWETNKKJVFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-6-12(7-10(9)2)15-8-13(14(18)19-4)16-11(3)17/h5-7,13,15H,8H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate?
methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(3,4-dimethylanilino)propanoate is sourced from PubChem (CID 103234166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).