N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C12H23F3N2O2 — CID 54871761

IUPACN-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC(C)C
InChIInChI=1S/C12H23F3N2O2/c1-4-19-7-5-6-17(9-12(13,14)15)11(18)8-16-10(2)3/h10,16H,4-9H2,1-3H3
InChIKeyLYAUXCKMAJGQDC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.80
Rot. Bonds9

About N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54871761) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54871761
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC(C)C
InChIInChI=1S/C12H23F3N2O2/c1-4-19-7-5-6-17(9-12(13,14)15)11(18)8-16-10(2)3/h10,16H,4-9H2,1-3H3
InChIKeyLYAUXCKMAJGQDC-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.80
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 N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 54871761) is N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)CNC(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LYAUXCKMAJGQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-19-7-5-6-17(9-12(13,14)15)11(18)8-16-10(2)3/h10,16H,4-9H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).