N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C8H13F3N2O2 — CID 62492310

IUPACN-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCCCNC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-3-4-12-6(14)5(2)13-7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyTZQCPSVUXGLDMD-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.58
Rot. Bonds4

About N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide

N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 62492310) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID62492310
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCCCNC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-3-4-12-6(14)5(2)13-7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyTZQCPSVUXGLDMD-UHFFFAOYSA-N
XLogP0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
2-(carbamothioylamino)-N-propylpropanamide
CID 61476796
butyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 520169
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
(2S)-3,3-dimethyl-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 61478990
3,3-dimethyl-N-octyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 172907302
2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid
CID 60941827

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 62492310) is N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is CCCNC(=O)C(C)NC(=O)C(F)(F)F.
What is the InChIKey of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is TZQCPSVUXGLDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-3-4-12-6(14)5(2)13-7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 226.20 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 62492310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).