2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide

C19H35NO3 — CID 58938825

IUPAC2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCC1CC(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CC(C)O1
InChIInChI=1S/C19H35NO3/c1-12-9-14(10-13(2)23-12)11-15(21)20-16(18(3,4)5)17(22)19(6,7)8/h12-14,16H,9-11H2,1-8H3,(H,20,21)
InChIKeyJQXFSDIHFSCWKX-UHFFFAOYSA-N
MW325.49 g/mol
LogP3.73
Rot. Bonds4

About 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide

2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (PubChem CID 58938825) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
PubChem CID58938825
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCC1CC(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CC(C)O1
InChIInChI=1S/C19H35NO3/c1-12-9-14(10-13(2)23-12)11-15(21)20-16(18(3,4)5)17(22)19(6,7)8/h12-14,16H,9-11H2,1-8H3,(H,20,21)
InChIKeyJQXFSDIHFSCWKX-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (CID 58938825) is 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is CC1CC(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The InChIKey is JQXFSDIHFSCWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-12-9-14(10-13(2)23-12)11-15(21)20-16(18(3,4)5)17(22)19(6,7)8/h12-14,16H,9-11H2,1-8H3,(H,20,21).
What are the key properties of 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide has a molecular weight of 325.49 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is sourced from PubChem (CID 58938825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).