ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate

C16H23FN2O2 — CID 63924989

IUPACethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate
SMILESCCOC(=O)C(CN(C)c1ccccc1F)(NC)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-4-21-15(20)16(18-2,12-9-10-12)11-19(3)14-8-6-5-7-13(14)17/h5-8,12,18H,4,9-11H2,1-3H3
InChIKeyUGAUOQBOHUNLAI-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.19
Rot. Bonds7

About ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate

ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate (PubChem CID 63924989) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate
PubChem CID63924989
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nameethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate
SMILESCCOC(=O)C(CN(C)c1ccccc1F)(NC)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-4-21-15(20)16(18-2,12-9-10-12)11-19(3)14-8-6-5-7-13(14)17/h5-8,12,18H,4,9-11H2,1-3H3
InChIKeyUGAUOQBOHUNLAI-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate (CID 63924989) is ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate is CCOC(=O)C(CN(C)c1ccccc1F)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate?
The InChIKey is UGAUOQBOHUNLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-21-15(20)16(18-2,12-9-10-12)11-19(3)14-8-6-5-7-13(14)17/h5-8,12,18H,4,9-11H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate?
ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate has a molecular weight of 294.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate is sourced from PubChem (CID 63924989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).