[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate

C18H21F3N2O5 — CID 18274282

IUPAC[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCC(OC(=O)COc1cccc(C(F)(F)F)c1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H21F3N2O5/c1-11(16(25)23-17(26)22-13-6-2-3-7-13)28-15(24)10-27-14-8-4-5-12(9-14)18(19,20)21/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,22,23,25,26)
InChIKeyMKIGQDZQJPCUSG-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.78
Rot. Bonds6

About [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate (PubChem CID 18274282) has the molecular formula C18H21F3N2O5 and a molecular weight of 402.37 g/mol. Its IUPAC name is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate
PubChem CID18274282
Molecular FormulaC18H21F3N2O5
Molecular Weight402.37 g/mol
Exact Mass402.14
IUPAC Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCC(OC(=O)COc1cccc(C(F)(F)F)c1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H21F3N2O5/c1-11(16(25)23-17(26)22-13-6-2-3-7-13)28-15(24)10-27-14-8-4-5-12(9-14)18(19,20)21/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,22,23,25,26)
InChIKeyMKIGQDZQJPCUSG-UHFFFAOYSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 37290830
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7506538
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912460
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 7840127
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7903020
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018744

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate (CID 18274282) is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate is CC(OC(=O)COc1cccc(C(F)(F)F)c1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate?
The InChIKey is MKIGQDZQJPCUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O5/c1-11(16(25)23-17(26)22-13-6-2-3-7-13)28-15(24)10-27-14-8-4-5-12(9-14)18(19,20)21/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,22,23,25,26).
What are the key properties of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate?
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate has a molecular weight of 402.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 18274282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).