[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

C22H24FNO5 — CID 16588990

IUPAC[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OC(C(=O)NC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNO5/c1-2-27-18-9-11-19(12-10-18)28-14-13-20(25)29-21(22(26)24-17-7-8-17)15-3-5-16(23)6-4-15/h3-6,9-12,17,21H,2,7-8,13-14H2,1H3,(H,24,26)
InChIKeyBQKCWLITCLYKSA-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.56
Rot. Bonds10

About [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 16588990) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID16588990
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OC(C(=O)NC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNO5/c1-2-27-18-9-11-19(12-10-18)28-14-13-20(25)29-21(22(26)24-17-7-8-17)15-3-5-16(23)6-4-15/h3-6,9-12,17,21H,2,7-8,13-14H2,1H3,(H,24,26)
InChIKeyBQKCWLITCLYKSA-UHFFFAOYSA-N
XLogP3.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 16589178
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 16589188
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840625
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
CID 8514509
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 16588764
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16599980
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 42930994
(2R)-2-(4-cyanophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 42488371
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8637077
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8601135
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 16588654
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133115

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (CID 16588990) is [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OC(C(=O)NC2CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is BQKCWLITCLYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO5/c1-2-27-18-9-11-19(12-10-18)28-14-13-20(25)29-21(22(26)24-17-7-8-17)15-3-5-16(23)6-4-15/h3-6,9-12,17,21H,2,7-8,13-14H2,1H3,(H,24,26).
What are the key properties of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 401.43 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 16588990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).