[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

C22H24FNO4 — CID 16589188

IUPAC[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OC(C(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-14(2)18-5-3-4-6-19(18)27-13-20(25)28-21(22(26)24-17-11-12-17)15-7-9-16(23)10-8-15/h3-10,14,17,21H,11-13H2,1-2H3,(H,24,26)
InChIKeyREHDUWZTDBOZIB-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.89
Rot. Bonds8

About [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 16589188) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
PubChem CID16589188
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OC(C(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-14(2)18-5-3-4-6-19(18)27-13-20(25)28-21(22(26)24-17-11-12-17)15-7-9-16(23)10-8-15/h3-10,14,17,21H,11-13H2,1-2H3,(H,24,26)
InChIKeyREHDUWZTDBOZIB-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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] 3-(4-ethoxyphenoxy)propanoate
CID 16588990
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938185
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938210
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 42930994
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 8600698
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938677
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8637077
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938441

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (CID 16589188) is [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)OC(C(=O)NC1CC1)c1ccc(F)cc1.
What is the InChIKey of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is REHDUWZTDBOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-14(2)18-5-3-4-6-19(18)27-13-20(25)28-21(22(26)24-17-11-12-17)15-7-9-16(23)10-8-15/h3-10,14,17,21H,11-13H2,1-2H3,(H,24,26).
What are the key properties of [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 385.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 16589188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).