N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide

C15H20F3N3O2 — CID 167992360

IUPACN-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)NCC(=O)NCC(F)(F)F)c(C)c1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-5-12(10(2)6-9)21-14(23)11(3)19-7-13(22)20-8-15(16,17)18/h4-6,11,19H,7-8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPISYCBPOFGBISQ-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.90
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide

N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide (PubChem CID 167992360) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide
PubChem CID167992360
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)NCC(=O)NCC(F)(F)F)c(C)c1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-5-12(10(2)6-9)21-14(23)11(3)19-7-13(22)20-8-15(16,17)18/h4-6,11,19H,7-8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPISYCBPOFGBISQ-UHFFFAOYSA-N
XLogP1.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
3-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187279
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
1-(2-amino-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113462931
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide (CID 167992360) is N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide is Cc1ccc(NC(=O)C(C)NCC(=O)NCC(F)(F)F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide?
The InChIKey is PISYCBPOFGBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-4-5-12(10(2)6-9)21-14(23)11(3)19-7-13(22)20-8-15(16,17)18/h4-6,11,19H,7-8H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide?
N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide has a molecular weight of 331.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanamide is sourced from PubChem (CID 167992360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).