methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate

C16H23FN2O2 — CID 63909571

IUPACmethyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
SMILESCCN(CC(NC)(C(=O)OC)C1CC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-4-19(14-7-5-6-13(17)10-14)11-16(18-2,12-8-9-12)15(20)21-3/h5-7,10,12,18H,4,8-9,11H2,1-3H3
InChIKeyBRWSYPXEJNTOKC-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.19
Rot. Bonds7

About methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate (PubChem CID 63909571) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
PubChem CID63909571
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Namemethyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
SMILESCCN(CC(NC)(C(=O)OC)C1CC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-4-19(14-7-5-6-13(17)10-14)11-16(18-2,12-8-9-12)15(20)21-3/h5-7,10,12,18H,4,8-9,11H2,1-3H3
InChIKeyBRWSYPXEJNTOKC-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 methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate (CID 63909571) is methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate is CCN(CC(NC)(C(=O)OC)C1CC1)c1cccc(F)c1.
What is the InChIKey of methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate?
The InChIKey is BRWSYPXEJNTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-19(14-7-5-6-13(17)10-14)11-16(18-2,12-8-9-12)15(20)21-3/h5-7,10,12,18H,4,8-9,11H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-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 methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate is sourced from PubChem (CID 63909571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).