ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate

C15H23NO2 — CID 62487923

IUPACethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1C)C(C)C
InChIInChI=1S/C15H23NO2/c1-6-18-14(17)15(5,11(2)3)16-13-10-8-7-9-12(13)4/h7-11,16H,6H2,1-5H3
InChIKeyZKHHFDJVCLYCBW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.38
Rot. Bonds5

About ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate

ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate (PubChem CID 62487923) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate.

Molecular Properties

Compound Nameethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
PubChem CID62487923
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1C)C(C)C
InChIInChI=1S/C15H23NO2/c1-6-18-14(17)15(5,11(2)3)16-13-10-8-7-9-12(13)4/h7-11,16H,6H2,1-5H3
InChIKeyZKHHFDJVCLYCBW-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate
CID 113481767
ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate
CID 113481768
ethyl (2R)-3,3,3-trifluoro-2-(2-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate
CID 6583146
ethyl 2-ethyl-2-(2-methylanilino)hexanoate
CID 63953248
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
ethyl 2-[[4-(hydroxymethyl)phenyl]methylamino]-2,3-dimethylbutanoate
CID 110009484
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
ethyl 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
methyl 2-methyl-2-(2-methylanilino)heptanoate
CID 80558078
ethyl 2-methyl-2-(2-methylphenyl)sulfanylpropanoate;dihydrate
CID 143618447
anthracene;ethane;ethyl 2,2,3-trimethylbutanoate
CID 164954844
ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate
CID 67722404

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate?
The IUPAC name of ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate (CID 62487923) is ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate.
What is the SMILES notation for ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate?
The canonical SMILES for ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate is CCOC(=O)C(C)(Nc1ccccc1C)C(C)C.
What is the InChIKey of ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate?
The InChIKey is ZKHHFDJVCLYCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-18-14(17)15(5,11(2)3)16-13-10-8-7-9-12(13)4/h7-11,16H,6H2,1-5H3.
What are the key properties of ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate?
ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate has a molecular weight of 249.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate is sourced from PubChem (CID 62487923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).