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

C17H27NO3 — CID 60993162

IUPACmethyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
SMILESCCC(C)CC(CC)(Nc1ccccc1OC)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-6-13(3)12-17(7-2,16(19)21-5)18-14-10-8-9-11-15(14)20-4/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyBILYUYYXDLQXRM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.87
Rot. Bonds8

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

methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate (PubChem CID 60993162) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
PubChem CID60993162
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
SMILESCCC(C)CC(CC)(Nc1ccccc1OC)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-6-13(3)12-17(7-2,16(19)21-5)18-14-10-8-9-11-15(14)20-4/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyBILYUYYXDLQXRM-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
methyl 2-ethyl-2-(2-fluoroanilino)-4-methylhexanoate
CID 60993327
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646
2-(2-methoxyanilino)-2-propylpentanoic acid
CID 60993872
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
methyl 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868098
2-anilino-2-ethyl-4-methylhexanamide
CID 54889196
methyl 2-(2-bromoanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868116
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate?
The IUPAC name of methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate (CID 60993162) is methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate.
What is the SMILES notation for methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate?
The canonical SMILES for methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate is CCC(C)CC(CC)(Nc1ccccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate?
The InChIKey is BILYUYYXDLQXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-13(3)12-17(7-2,16(19)21-5)18-14-10-8-9-11-15(14)20-4/h8-11,13,18H,6-7,12H2,1-5H3.
What are the key properties of methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate?
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate has a molecular weight of 293.41 g/mol, XLogP of 3.87, 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-(2-methoxyanilino)-4-methylhexanoate is sourced from PubChem (CID 60993162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).