4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide

C13H24F3N3O2 — CID 138569366

IUPAC4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CCCNC(C)=O)CCCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H24F3N3O2/c1-3-19(9-5-7-17-11(2)20)8-4-6-12(21)18-10-13(14,15)16/h3-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMOPWAQGNSIUIOW-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.29
Rot. Bonds10

About 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide

4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 138569366) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID138569366
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC Name4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CCCNC(C)=O)CCCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H24F3N3O2/c1-3-19(9-5-7-17-11(2)20)8-4-6-12(21)18-10-13(14,15)16/h3-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMOPWAQGNSIUIOW-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
2,2,2-trifluoro-N-[3-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butylamino]propyl]acetamide
CID 388776
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
Butanamide, N-(4-amino-4-oxobutyl)-
CID 3067787
2,2,2-trifluoro-N-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butyl]acetamide
CID 389609
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4185686
4,9-Dioxo-5,10-diazatetradecane
CID 54807
Butanamide, N,N-dipropyl-4-((1-oxobutyl)amino)-
CID 3067792

Frequently Asked Questions

What is the IUPAC name of 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide (CID 138569366) is 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide is CCN(CCCNC(C)=O)CCCC(=O)NCC(F)(F)F.
What is the InChIKey of 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is MOPWAQGNSIUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-3-19(9-5-7-17-11(2)20)8-4-6-12(21)18-10-13(14,15)16/h3-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide?
4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 311.35 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-acetamidopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 138569366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).