5-(2-ethyl-6-methylanilino)-5-oxopentanoate

C14H18NO3- — CID 4740094

IUPAC5-(2-ethyl-6-methylanilino)-5-oxopentanoate
SMILESCCc1cccc(C)c1NC(=O)CCCC(=O)[O-]
InChIInChI=1S/C14H19NO3/c1-3-11-7-4-6-10(2)14(11)15-12(16)8-5-9-13(17)18/h4,6-7H,3,5,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyHQULJSKNKMMDCZ-UHFFFAOYSA-M
MW248.30 g/mol
LogP1.42
Rot. Bonds6

About 5-(2-ethyl-6-methylanilino)-5-oxopentanoate

5-(2-ethyl-6-methylanilino)-5-oxopentanoate (PubChem CID 4740094) has the molecular formula C14H18NO3- and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(2-ethyl-6-methylanilino)-5-oxopentanoate.

Molecular Properties

Compound Name5-(2-ethyl-6-methylanilino)-5-oxopentanoate
PubChem CID4740094
Molecular FormulaC14H18NO3-
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-(2-ethyl-6-methylanilino)-5-oxopentanoate
SMILESCCc1cccc(C)c1NC(=O)CCCC(=O)[O-]
InChIInChI=1S/C14H19NO3/c1-3-11-7-4-6-10(2)14(11)15-12(16)8-5-9-13(17)18/h4,6-7H,3,5,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyHQULJSKNKMMDCZ-UHFFFAOYSA-M
XLogP1.42
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-methylanilino)-5-oxopentanoate?
The IUPAC name of 5-(2-ethyl-6-methylanilino)-5-oxopentanoate (CID 4740094) is 5-(2-ethyl-6-methylanilino)-5-oxopentanoate.
What is the SMILES notation for 5-(2-ethyl-6-methylanilino)-5-oxopentanoate?
The canonical SMILES for 5-(2-ethyl-6-methylanilino)-5-oxopentanoate is CCc1cccc(C)c1NC(=O)CCCC(=O)[O-].
What is the InChIKey of 5-(2-ethyl-6-methylanilino)-5-oxopentanoate?
The InChIKey is HQULJSKNKMMDCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO3/c1-3-11-7-4-6-10(2)14(11)15-12(16)8-5-9-13(17)18/h4,6-7H,3,5,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 5-(2-ethyl-6-methylanilino)-5-oxopentanoate?
5-(2-ethyl-6-methylanilino)-5-oxopentanoate has a molecular weight of 248.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-methylanilino)-5-oxopentanoate is sourced from PubChem (CID 4740094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).