N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O — CID 54871242

IUPACN-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CNC1CC1
InChIInChI=1S/C11H19F3N2O/c1-2-3-6-16(8-11(12,13)14)10(17)7-15-9-4-5-9/h9,15H,2-8H2,1H3
InChIKeyNPGOFIXOYBDMCX-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds7

About N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54871242) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54871242
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CNC1CC1
InChIInChI=1S/C11H19F3N2O/c1-2-3-6-16(8-11(12,13)14)10(17)7-15-9-4-5-9/h9,15H,2-8H2,1H3
InChIKeyNPGOFIXOYBDMCX-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 54871242) is N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)CNC1CC1.
What is the InChIKey of N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NPGOFIXOYBDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-3-6-16(8-11(12,13)14)10(17)7-15-9-4-5-9/h9,15H,2-8H2,1H3.
What are the key properties of N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(cyclopropylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54871242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).