2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C11H21F3N2O2 — CID 81083355

IUPAC2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)COC
InChIInChI=1S/C11H21F3N2O2/c1-4-8(5-2)16(7-11(12,13)14)10(17)9(15)6-18-3/h8-9H,4-7,15H2,1-3H3
InChIKeyICMBRTQSPKNSMC-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds7

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

2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 81083355) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID81083355
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)COC
InChIInChI=1S/C11H21F3N2O2/c1-4-8(5-2)16(7-11(12,13)14)10(17)9(15)6-18-3/h8-9H,4-7,15H2,1-3H3
InChIKeyICMBRTQSPKNSMC-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
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-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 81083355) is 2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)N(CC(F)(F)F)C(=O)C(N)COC.
What is the InChIKey of 2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ICMBRTQSPKNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-8(5-2)16(7-11(12,13)14)10(17)9(15)6-18-3/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 270.29 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-3-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 81083355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).