2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide

C17H24F3N3O2 — CID 87015064

IUPAC2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N3O2/c1-3-8-21-15(24)11-23(9-4-2)12-16(25)22-14-7-5-6-13(10-14)17(18,19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDLEVWHCOIXAYAK-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.88
Rot. Bonds9

About 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide

2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide (PubChem CID 87015064) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide
PubChem CID87015064
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N3O2/c1-3-8-21-15(24)11-23(9-4-2)12-16(25)22-14-7-5-6-13(10-14)17(18,19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDLEVWHCOIXAYAK-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881655
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8906928
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 143912635
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27152993
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide (CID 87015064) is 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide?
The InChIKey is DLEVWHCOIXAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-3-8-21-15(24)11-23(9-4-2)12-16(25)22-14-7-5-6-13(10-14)17(18,19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide?
2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide has a molecular weight of 359.39 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 87015064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).