2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide

C9H15F3N2O2 — CID 81088642

IUPAC2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCC(N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H15F3N2O2/c1-16-4-7(13)8(15)14(6-2-3-6)5-9(10,11)12/h6-7H,2-5,13H2,1H3
InChIKeyZLJSGACKJYDCSN-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.51
Rot. Bonds5

About 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide

2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 81088642) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID81088642
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCC(N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H15F3N2O2/c1-16-4-7(13)8(15)14(6-2-3-6)5-9(10,11)12/h6-7H,2-5,13H2,1H3
InChIKeyZLJSGACKJYDCSN-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide (CID 81088642) is 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide is COCC(N)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZLJSGACKJYDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-16-4-7(13)8(15)14(6-2-3-6)5-9(10,11)12/h6-7H,2-5,13H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 240.22 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 81088642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).