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

C10H19F3N2O2 — CID 54871745

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

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

2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 54871745) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID54871745
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(C)N
InChIInChI=1S/C10H19F3N2O2/c1-3-17-6-4-5-15(7-10(11,12)13)9(16)8(2)14/h8H,3-7,14H2,1-2H3
InChIKeyRVQCCFNTVDGWSL-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

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)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 54871745) is 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide is CCOCCCN(CC(F)(F)F)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RVQCCFNTVDGWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-17-6-4-5-15(7-10(11,12)13)9(16)8(2)14/h8H,3-7,14H2,1-2H3.
What are the key properties of 2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-N-(3-ethoxypropyl)-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-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 54871745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).