ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate

C15H23NO3 — CID 61326624

IUPACethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(Nc1ccccc1OC)C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-6-19-14(17)13(15(2,3)4)16-11-9-7-8-10-12(11)18-5/h7-10,13,16H,6H2,1-5H3
InChIKeyABEUOQBQBDRMBW-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.08
Rot. Bonds5

About ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate

ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate (PubChem CID 61326624) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
PubChem CID61326624
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(Nc1ccccc1OC)C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-6-19-14(17)13(15(2,3)4)16-11-9-7-8-10-12(11)18-5/h7-10,13,16H,6H2,1-5H3
InChIKeyABEUOQBQBDRMBW-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
ethyl 2-(4-fluoroanilino)-3,3-dimethylbutanoate
CID 61325169
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 162536758
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate (CID 61326624) is ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate is CCOC(=O)C(Nc1ccccc1OC)C(C)(C)C.
What is the InChIKey of ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate?
The InChIKey is ABEUOQBQBDRMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-19-14(17)13(15(2,3)4)16-11-9-7-8-10-12(11)18-5/h7-10,13,16H,6H2,1-5H3.
What are the key properties of ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate?
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate has a molecular weight of 265.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate is sourced from PubChem (CID 61326624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).