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

C10H19F3N2O2 — CID 81082970

IUPAC2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)COC
InChIInChI=1S/C10H19F3N2O2/c1-3-4-5-15(7-10(11,12)13)9(16)8(14)6-17-2/h8H,3-7,14H2,1-2H3
InChIKeyOUQPISUHKOBKRY-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds7

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

2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 81082970) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID81082970
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(N)COC
InChIInChI=1S/C10H19F3N2O2/c1-3-4-5-15(7-10(11,12)13)9(16)8(14)6-17-2/h8H,3-7,14H2,1-2H3
InChIKeyOUQPISUHKOBKRY-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide (CID 81082970) is 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OUQPISUHKOBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-4-5-15(7-10(11,12)13)9(16)8(14)6-17-2/h8H,3-7,14H2,1-2H3.
What are the key properties of 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 81082970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).