2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C12H21F3N2O2 — CID 55080719

IUPAC2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOCCC(N)C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(9-3-4-9)17(7-12(13,14)15)11(18)10(16)5-6-19-2/h8-10H,3-7,16H2,1-2H3
InChIKeyWQSNFXCPAGYFFA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.54
Rot. Bonds7

About 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 55080719) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID55080719
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOCCC(N)C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H21F3N2O2/c1-8(9-3-4-9)17(7-12(13,14)15)11(18)10(16)5-6-19-2/h8-10H,3-7,16H2,1-2H3
InChIKeyWQSNFXCPAGYFFA-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 55080719) is 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide is COCCC(N)C(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WQSNFXCPAGYFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(9-3-4-9)17(7-12(13,14)15)11(18)10(16)5-6-19-2/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 55080719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).