3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide

C14H23F3N2O4 — CID 59811750

IUPAC3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide
SMILESCOCCOCCC(=O)NC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O4/c1-22-8-9-23-7-6-12(20)18-10-2-4-11(5-3-10)19-13(21)14(15,16)17/h10-11H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyAZKRBWIOFBVGQH-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.15
Rot. Bonds8

About 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide

3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide (PubChem CID 59811750) has the molecular formula C14H23F3N2O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide
PubChem CID59811750
Molecular FormulaC14H23F3N2O4
Molecular Weight340.34 g/mol
Exact Mass340.16
IUPAC Name3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide
SMILESCOCCOCCC(=O)NC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O4/c1-22-8-9-23-7-6-12(20)18-10-2-4-11(5-3-10)19-13(21)14(15,16)17/h10-11H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyAZKRBWIOFBVGQH-UHFFFAOYSA-N
XLogP1.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.15
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 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide (CID 59811750) is 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide is COCCOCCC(=O)NC1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide?
The InChIKey is AZKRBWIOFBVGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O4/c1-22-8-9-23-7-6-12(20)18-10-2-4-11(5-3-10)19-13(21)14(15,16)17/h10-11H,2-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide?
3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide has a molecular weight of 340.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]propanamide is sourced from PubChem (CID 59811750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).