2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C15H19F3N2O — CID 60866125

IUPAC2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-9(20-13(21)14(2,19)11-7-8-11)10-3-5-12(6-4-10)15(16,17)18/h3-6,9,11H,7-8,19H2,1-2H3,(H,20,21)
InChIKeyOGKMYZWKVKXVMI-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.01
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide

2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 60866125) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID60866125
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-9(20-13(21)14(2,19)11-7-8-11)10-3-5-12(6-4-10)15(16,17)18/h3-6,9,11H,7-8,19H2,1-2H3,(H,20,21)
InChIKeyOGKMYZWKVKXVMI-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 60866125) is 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide is CC(NC(=O)C(C)(N)C1CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is OGKMYZWKVKXVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9(20-13(21)14(2,19)11-7-8-11)10-3-5-12(6-4-10)15(16,17)18/h3-6,9,11H,7-8,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 60866125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).