4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C12H21F3N2O2 — CID 103155071

IUPAC4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=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)5-10(6-16)19-2/h8-10H,3-7,16H2,1-2H3
InChIKeyZMOWJFKHZWYBAV-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.54
Rot. Bonds7

About 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103155071) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103155071
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=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)5-10(6-16)19-2/h8-10H,3-7,16H2,1-2H3
InChIKeyZMOWJFKHZWYBAV-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 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103155071) is 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is COC(CN)CC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is ZMOWJFKHZWYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(9-3-4-9)17(7-12(13,14)15)11(18)5-10(6-16)19-2/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-(1-cyclopropylethyl)-3-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 4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103155071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).