N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide

C10H17F3N2O2 — CID 79394298

IUPACN-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide
SMILESO=C(CCCNCCOC(F)(F)F)NC1CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)17-7-6-14-5-1-2-9(16)15-8-3-4-8/h8,14H,1-7H2,(H,15,16)
InChIKeyKBQCBUYJPRLMRG-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.17
Rot. Bonds8

About N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide

N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide (PubChem CID 79394298) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide
PubChem CID79394298
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide
SMILESO=C(CCCNCCOC(F)(F)F)NC1CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)17-7-6-14-5-1-2-9(16)15-8-3-4-8/h8,14H,1-7H2,(H,15,16)
InChIKeyKBQCBUYJPRLMRG-UHFFFAOYSA-N
XLogP1.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide (CID 79394298) is N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide is O=C(CCCNCCOC(F)(F)F)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide?
The InChIKey is KBQCBUYJPRLMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)17-7-6-14-5-1-2-9(16)15-8-3-4-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide?
N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide has a molecular weight of 254.25 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide is sourced from PubChem (CID 79394298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).