ethyl 2-ethyl-2-(2-methylanilino)hexanoate

C17H27NO2 — CID 63953248

IUPACethyl 2-ethyl-2-(2-methylanilino)hexanoate
SMILESCCCCC(CC)(Nc1ccccc1C)C(=O)OCC
InChIInChI=1S/C17H27NO2/c1-5-8-13-17(6-2,16(19)20-7-3)18-15-12-10-9-11-14(15)4/h9-12,18H,5-8,13H2,1-4H3
InChIKeyMIKMCNFCTDOOCZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.31
Rot. Bonds8

About ethyl 2-ethyl-2-(2-methylanilino)hexanoate

ethyl 2-ethyl-2-(2-methylanilino)hexanoate (PubChem CID 63953248) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(2-methylanilino)hexanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(2-methylanilino)hexanoate
PubChem CID63953248
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-ethyl-2-(2-methylanilino)hexanoate
SMILESCCCCC(CC)(Nc1ccccc1C)C(=O)OCC
InChIInChI=1S/C17H27NO2/c1-5-8-13-17(6-2,16(19)20-7-3)18-15-12-10-9-11-14(15)4/h9-12,18H,5-8,13H2,1-4H3
InChIKeyMIKMCNFCTDOOCZ-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
methyl 2-methyl-2-(2-methylanilino)heptanoate
CID 80558078
ethyl 2,3-dimethyl-2-(2-methylanilino)butanoate
CID 62487923
ethyl 3-methoxy-2-methyl-2-(2-methylanilino)butanoate
CID 113481767
ethyl 2-(2-methylanilino)nonanoate
CID 63523920
ethyl 2-ethyl-2-(prop-2-enylamino)hexanoate
CID 63953253
2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
CID 65377999
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
methyl 2-cyclopropyl-2-(2-methylanilino)pentanoate
CID 114276044
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
2-(2-methylanilino)-2-phenylpentanamide
CID 60996445
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(2-methylanilino)hexanoate?
The IUPAC name of ethyl 2-ethyl-2-(2-methylanilino)hexanoate (CID 63953248) is ethyl 2-ethyl-2-(2-methylanilino)hexanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(2-methylanilino)hexanoate?
The canonical SMILES for ethyl 2-ethyl-2-(2-methylanilino)hexanoate is CCCCC(CC)(Nc1ccccc1C)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-(2-methylanilino)hexanoate?
The InChIKey is MIKMCNFCTDOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-8-13-17(6-2,16(19)20-7-3)18-15-12-10-9-11-14(15)4/h9-12,18H,5-8,13H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-(2-methylanilino)hexanoate?
ethyl 2-ethyl-2-(2-methylanilino)hexanoate has a molecular weight of 277.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(2-methylanilino)hexanoate is sourced from PubChem (CID 63953248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).