2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C13H23F3N2O3 — CID 79272551

IUPAC2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCOCCNCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O3/c1-20-6-5-17-8-12(19)18-10-3-2-4-11(7-10)21-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyDSMZCWFMWAURIU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.23
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 79272551) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID79272551
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCOCCNCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O3/c1-20-6-5-17-8-12(19)18-10-3-2-4-11(7-10)21-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19)
InChIKeyDSMZCWFMWAURIU-UHFFFAOYSA-N
XLogP1.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
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-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 79272551) is 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is COCCNCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is DSMZCWFMWAURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-20-6-5-17-8-12(19)18-10-3-2-4-11(7-10)21-9-13(14,15)16/h10-11,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 79272551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).