methyl 2-ethyl-2-(4-methoxyanilino)hexanoate

C16H25NO3 — CID 63952851

IUPACmethyl 2-ethyl-2-(4-methoxyanilino)hexanoate
SMILESCCCCC(CC)(Nc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-5-7-12-16(6-2,15(18)20-4)17-13-8-10-14(19-3)11-9-13/h8-11,17H,5-7,12H2,1-4H3
InChIKeyMCSIKSVVMZVEOB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.62
Rot. Bonds8

About methyl 2-ethyl-2-(4-methoxyanilino)hexanoate

methyl 2-ethyl-2-(4-methoxyanilino)hexanoate (PubChem CID 63952851) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-ethyl-2-(4-methoxyanilino)hexanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-(4-methoxyanilino)hexanoate
PubChem CID63952851
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-ethyl-2-(4-methoxyanilino)hexanoate
SMILESCCCCC(CC)(Nc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-5-7-12-16(6-2,15(18)20-4)17-13-8-10-14(19-3)11-9-13/h8-11,17H,5-7,12H2,1-4H3
InChIKeyMCSIKSVVMZVEOB-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657
methyl 2-ethyl-2-(4-methoxyanilino)-4-methylhexanoate
CID 60991338
methyl 2-(4-chloroanilino)-2-ethylpentanoate
CID 114079648
ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340
methyl 2-ethyl-2-(4-methylanilino)butanoate
CID 54889628
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
2-ethyl-2-(3-methoxyanilino)hexanamide
CID 63953655
methyl (2S)-2-cyclohexyl-2-(4-methoxyanilino)nonanoate
CID 171394193
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
methyl 2-(butan-2-ylamino)-2-ethylhexanoate
CID 63953250
2-(4-ethoxyanilino)-2-ethylbutanoic acid
CID 71564804

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-(4-methoxyanilino)hexanoate?
The IUPAC name of methyl 2-ethyl-2-(4-methoxyanilino)hexanoate (CID 63952851) is methyl 2-ethyl-2-(4-methoxyanilino)hexanoate.
What is the SMILES notation for methyl 2-ethyl-2-(4-methoxyanilino)hexanoate?
The canonical SMILES for methyl 2-ethyl-2-(4-methoxyanilino)hexanoate is CCCCC(CC)(Nc1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-(4-methoxyanilino)hexanoate?
The InChIKey is MCSIKSVVMZVEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-7-12-16(6-2,15(18)20-4)17-13-8-10-14(19-3)11-9-13/h8-11,17H,5-7,12H2,1-4H3.
What are the key properties of methyl 2-ethyl-2-(4-methoxyanilino)hexanoate?
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate has a molecular weight of 279.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-(4-methoxyanilino)hexanoate is sourced from PubChem (CID 63952851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).