N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide

C11H19F3N2O — CID 106212364

IUPACN-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-4-7(2)15-9(17)8(3)16-10(5-6-10)11(12,13)14/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyYEBASWTZVMEEPS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.97
Rot. Bonds5

About N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide

N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide (PubChem CID 106212364) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
PubChem CID106212364
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-4-7(2)15-9(17)8(3)16-10(5-6-10)11(12,13)14/h7-8,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyYEBASWTZVMEEPS-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide (CID 106212364) is N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide is CCC(C)NC(=O)C(C)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The InChIKey is YEBASWTZVMEEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-4-7(2)15-9(17)8(3)16-10(5-6-10)11(12,13)14/h7-8,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide is sourced from PubChem (CID 106212364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).