N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 54871747

IUPACN-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC
InChIInChI=1S/C10H19F3N2O2/c1-3-17-6-4-5-15(8-10(11,12)13)9(16)7-14-2/h14H,3-8H2,1-2H3
InChIKeyNKVMGHBAQQKXFF-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.02
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54871747) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54871747
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC
InChIInChI=1S/C10H19F3N2O2/c1-3-17-6-4-5-15(8-10(11,12)13)9(16)7-14-2/h14H,3-8H2,1-2H3
InChIKeyNKVMGHBAQQKXFF-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 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 ≤ 51.02
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-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 54871747) is N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)CNC.
What is the InChIKey of N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NKVMGHBAQQKXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-17-6-4-5-15(8-10(11,12)13)9(16)7-14-2/h14H,3-8H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54871747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).