ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate

C15H23NO3 — CID 113481767

IUPACethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1C)C(C)OC
InChIInChI=1S/C15H23NO3/c1-6-19-14(17)15(4,12(3)18-5)16-13-10-8-7-9-11(13)2/h7-10,12,16H,6H2,1-5H3
InChIKeyYKACRMGODFBOAO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.76
Rot. Bonds6

About ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate

ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate (PubChem CID 113481767) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate
PubChem CID113481767
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1C)C(C)OC
InChIInChI=1S/C15H23NO3/c1-6-19-14(17)15(4,12(3)18-5)16-13-10-8-7-9-11(13)2/h7-10,12,16H,6H2,1-5H3
InChIKeyYKACRMGODFBOAO-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
CID 62487923
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 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
methyl 2-methyl-2-(2-methylanilino)heptanoate
CID 80558078
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
CID 60992455
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
ethyl 2-methyl-2-(2-methylphenyl)sulfanylpropanoate;dihydrate
CID 143618447
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate?
The IUPAC name of ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate (CID 113481767) is ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate.
What is the SMILES notation for ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate?
The canonical SMILES for ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate is CCOC(=O)C(C)(Nc1ccccc1C)C(C)OC.
What is the InChIKey of ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate?
The InChIKey is YKACRMGODFBOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-19-14(17)15(4,12(3)18-5)16-13-10-8-7-9-11(13)2/h7-10,12,16H,6H2,1-5H3.
What are the key properties of ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate?
ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate is sourced from PubChem (CID 113481767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).