ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate

C16H24FNO3 — CID 60994033

IUPACethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)(CC(C)(C)OC)Nc1cccc(F)c1
InChIInChI=1S/C16H24FNO3/c1-6-21-14(19)16(4,11-15(2,3)20-5)18-13-9-7-8-12(17)10-13/h7-10,18H,6,11H2,1-5H3
InChIKeyWIDXJXHWYWVCAU-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.37
Rot. Bonds7

About ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate

ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate (PubChem CID 60994033) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate
PubChem CID60994033
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)(CC(C)(C)OC)Nc1cccc(F)c1
InChIInChI=1S/C16H24FNO3/c1-6-21-14(19)16(4,11-15(2,3)20-5)18-13-9-7-8-12(17)10-13/h7-10,18H,6,11H2,1-5H3
InChIKeyWIDXJXHWYWVCAU-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
CID 54892277
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
methyl 2-(3-bromoanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60993424
ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
CID 10587890
ethyl 2-(3-methoxyanilino)-2,5-dimethylhexanoate
CID 60992871
ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(3-fluoroanilino)propanoate
CID 4151094
ethyl 2-[(3-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537667
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate?
The IUPAC name of ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate (CID 60994033) is ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate?
The canonical SMILES for ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate is CCOC(=O)C(C)(CC(C)(C)OC)Nc1cccc(F)c1.
What is the InChIKey of ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate?
The InChIKey is WIDXJXHWYWVCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-6-21-14(19)16(4,11-15(2,3)20-5)18-13-9-7-8-12(17)10-13/h7-10,18H,6,11H2,1-5H3.
What are the key properties of ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate?
ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate has a molecular weight of 297.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate is sourced from PubChem (CID 60994033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).