2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide

C16H30FNO2 — CID 70191357

IUPAC2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CC(C)OC(C)C1)C(C)C(C)F
InChIInChI=1S/C16H30FNO2/c1-6-7-18(14(5)13(4)17)16(19)10-15-8-11(2)20-12(3)9-15/h11-15H,6-10H2,1-5H3
InChIKeyKBHPRJAMUCLGGX-UHFFFAOYSA-N
MW287.42 g/mol
LogP3.57
Rot. Bonds6

About 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide

2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide (PubChem CID 70191357) has the molecular formula C16H30FNO2 and a molecular weight of 287.42 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide
PubChem CID70191357
Molecular FormulaC16H30FNO2
Molecular Weight287.42 g/mol
Exact Mass287.23
IUPAC Name2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CC(C)OC(C)C1)C(C)C(C)F
InChIInChI=1S/C16H30FNO2/c1-6-7-18(14(5)13(4)17)16(19)10-15-8-11(2)20-12(3)9-15/h11-15H,6-10H2,1-5H3
InChIKeyKBHPRJAMUCLGGX-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 53.57
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-(3-fluorobutan-2-yl)-N-propylacetamide?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide (CID 70191357) is 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide is CCCN(C(=O)CC1CC(C)OC(C)C1)C(C)C(C)F.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide?
The InChIKey is KBHPRJAMUCLGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO2/c1-6-7-18(14(5)13(4)17)16(19)10-15-8-11(2)20-12(3)9-15/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide?
2-(2,6-dimethyloxan-4-yl)-N-(3-fluorobutan-2-yl)-N-propylacetamide has a molecular weight of 287.42 g/mol, XLogP of 3.57, 6 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-(3-fluorobutan-2-yl)-N-propylacetamide is sourced from PubChem (CID 70191357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).