ethyl 2-ethyl-2-(2-methoxyanilino)butanoate

C15H23NO3 — CID 54890504

IUPACethyl 2-ethyl-2-(2-methoxyanilino)butanoate
SMILESCCOC(=O)C(CC)(CC)Nc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-5-15(6-2,14(17)19-7-3)16-12-10-8-9-11-13(12)18-4/h8-11,16H,5-7H2,1-4H3
InChIKeyCZKBHWQBFGMJBK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.23
Rot. Bonds7

About ethyl 2-ethyl-2-(2-methoxyanilino)butanoate

ethyl 2-ethyl-2-(2-methoxyanilino)butanoate (PubChem CID 54890504) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(2-methoxyanilino)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(2-methoxyanilino)butanoate
PubChem CID54890504
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-ethyl-2-(2-methoxyanilino)butanoate
SMILESCCOC(=O)C(CC)(CC)Nc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-5-15(6-2,14(17)19-7-3)16-12-10-8-9-11-13(12)18-4/h8-11,16H,5-7H2,1-4H3
InChIKeyCZKBHWQBFGMJBK-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
CID 60993162
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(2-methoxyanilino)propanoate
CID 7037440
2-(2-methoxyanilino)-2-propylpentanoic acid
CID 60993872
ethyl 2-ethyl-2-(2-methylanilino)hexanoate
CID 63953248
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 162536758
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(2-methoxyanilino)butanoate?
The IUPAC name of ethyl 2-ethyl-2-(2-methoxyanilino)butanoate (CID 54890504) is ethyl 2-ethyl-2-(2-methoxyanilino)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(2-methoxyanilino)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-(2-methoxyanilino)butanoate is CCOC(=O)C(CC)(CC)Nc1ccccc1OC.
What is the InChIKey of ethyl 2-ethyl-2-(2-methoxyanilino)butanoate?
The InChIKey is CZKBHWQBFGMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-15(6-2,14(17)19-7-3)16-12-10-8-9-11-13(12)18-4/h8-11,16H,5-7H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-(2-methoxyanilino)butanoate?
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(2-methoxyanilino)butanoate is sourced from PubChem (CID 54890504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).