ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate

C14H20ClNO3 — CID 113481768

IUPACethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1Cl)C(C)OC
InChIInChI=1S/C14H20ClNO3/c1-5-19-13(17)14(3,10(2)18-4)16-12-9-7-6-8-11(12)15/h6-10,16H,5H2,1-4H3
InChIKeyJTHJPJKOKZHPOO-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.11
Rot. Bonds6

About ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate

ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate (PubChem CID 113481768) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate
PubChem CID113481768
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1Cl)C(C)OC
InChIInChI=1S/C14H20ClNO3/c1-5-19-13(17)14(3,10(2)18-4)16-12-9-7-6-8-11(12)15/h6-10,16H,5H2,1-4H3
InChIKeyJTHJPJKOKZHPOO-UHFFFAOYSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate
CID 113481767
ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
CID 62487923
methyl 2-(2-chloroanilino)-2-methylpropanoate
CID 60990978
methyl 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868098
ethyl 2-(2-chloroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
CID 2802325
ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
CID 60788388
ethyl 3-(2-chlorophenyl)-2,2-dimethyl-3-oxopropanoate
CID 22664966
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
ethyl 2-(2-chloroanilino)-3-methylbut-3-enoate
CID 114784506
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 4-amino-3-(2-chloroanilino)-4-oxobutanoate
CID 66430916
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate?
The IUPAC name of ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate (CID 113481768) is ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate.
What is the SMILES notation for ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate?
The canonical SMILES for ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate is CCOC(=O)C(C)(Nc1ccccc1Cl)C(C)OC.
What is the InChIKey of ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate?
The InChIKey is JTHJPJKOKZHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-5-19-13(17)14(3,10(2)18-4)16-12-9-7-6-8-11(12)15/h6-10,16H,5H2,1-4H3.
What are the key properties of ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate?
ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate has a molecular weight of 285.77 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloroanilino)-3-methoxy-2-methylbutanoate is sourced from PubChem (CID 113481768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).