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

C10H19F3N2O2 — CID 54871744

IUPAC3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C10H19F3N2O2/c1-2-17-7-3-6-15(8-10(11,12)13)9(16)4-5-14/h2-8,14H2,1H3
InChIKeyIQHRGEYTEYFEGN-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds8

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

3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 54871744) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID54871744
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C10H19F3N2O2/c1-2-17-7-3-6-15(8-10(11,12)13)9(16)4-5-14/h2-8,14H2,1H3
InChIKeyIQHRGEYTEYFEGN-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 54871744) is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide is CCOCCCN(CC(F)(F)F)C(=O)CCN.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IQHRGEYTEYFEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-2-17-7-3-6-15(8-10(11,12)13)9(16)4-5-14/h2-8,14H2,1H3.
What are the key properties of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 54871744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).