2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide

C15H26FNO2 — CID 58376637

IUPAC2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CC(C)OC(C)C1)C1CC1F
InChIInChI=1S/C15H26FNO2/c1-4-5-17(14-9-13(14)16)15(18)8-12-6-10(2)19-11(3)7-12/h10-14H,4-9H2,1-3H3
InChIKeyMVMXDOSKKFRELF-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.93
Rot. Bonds5

About 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide

2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide (PubChem CID 58376637) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide
PubChem CID58376637
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Name2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CC(C)OC(C)C1)C1CC1F
InChIInChI=1S/C15H26FNO2/c1-4-5-17(14-9-13(14)16)15(18)8-12-6-10(2)19-11(3)7-12/h10-14H,4-9H2,1-3H3
InChIKeyMVMXDOSKKFRELF-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide (CID 58376637) is 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide is CCCN(C(=O)CC1CC(C)OC(C)C1)C1CC1F.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide?
The InChIKey is MVMXDOSKKFRELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO2/c1-4-5-17(14-9-13(14)16)15(18)8-12-6-10(2)19-11(3)7-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide?
2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide has a molecular weight of 271.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)-N-(2-fluorocyclopropyl)-N-propylacetamide is sourced from PubChem (CID 58376637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).