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

C11H21F3N2O3 — CID 81082971

IUPAC2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)COC
InChIInChI=1S/C11H21F3N2O3/c1-3-19-6-4-5-16(8-11(12,13)14)10(17)9(15)7-18-2/h9H,3-8,15H2,1-2H3
InChIKeyOPOFOSUFSGJEHO-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.78
Rot. Bonds9

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

2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 81082971) has the molecular formula C11H21F3N2O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID81082971
Molecular FormulaC11H21F3N2O3
Molecular Weight286.29 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)COC
InChIInChI=1S/C11H21F3N2O3/c1-3-19-6-4-5-16(8-11(12,13)14)10(17)9(15)7-18-2/h9H,3-8,15H2,1-2H3
InChIKeyOPOFOSUFSGJEHO-UHFFFAOYSA-N
XLogP0.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide (CID 81082971) is 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide is CCOCCCN(CC(F)(F)F)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OPOFOSUFSGJEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3/c1-3-19-6-4-5-16(8-11(12,13)14)10(17)9(15)7-18-2/h9H,3-8,15H2,1-2H3.
What are the key properties of 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 286.29 g/mol, XLogP of 0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxypropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 81082971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).