[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

C15H15F3N2O4 — CID 7880563

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C15H15F3N2O4/c16-15(17,18)10-3-1-9(2-4-10)14(23)19-7-13(22)24-8-12(21)20-11-5-6-11/h1-4,11H,5-8H2,(H,19,23)(H,20,21)
InChIKeyREGDDCKPBDIDMJ-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.26
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 7880563) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID7880563
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C15H15F3N2O4/c16-15(17,18)10-3-1-9(2-4-10)14(23)19-7-13(22)24-8-12(21)20-11-5-6-11/h1-4,11H,5-8H2,(H,19,23)(H,20,21)
InChIKeyREGDDCKPBDIDMJ-UHFFFAOYSA-N
XLogP1.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate with MolForge

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880431
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
[2-(cyclopropylamino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883585
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880632
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880432
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35650171

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 7880563) is [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is REGDDCKPBDIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4/c16-15(17,18)10-3-1-9(2-4-10)14(23)19-7-13(22)24-8-12(21)20-11-5-6-11/h1-4,11H,5-8H2,(H,19,23)(H,20,21).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 344.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 7880563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).