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

C17H31NO3 — CID 58938939

IUPAC2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCC(C)(C)C(=O)C(NC(=O)CC1CCOCC1)C(C)(C)C
InChIInChI=1S/C17H31NO3/c1-16(2,3)14(15(20)17(4,5)6)18-13(19)11-12-7-9-21-10-8-12/h12,14H,7-11H2,1-6H3,(H,18,19)
InChIKeyVZBJNJJDBROAAN-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.95
Rot. Bonds4

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

2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (PubChem CID 58938939) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
PubChem CID58938939
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCC(C)(C)C(=O)C(NC(=O)CC1CCOCC1)C(C)(C)C
InChIInChI=1S/C17H31NO3/c1-16(2,3)14(15(20)17(4,5)6)18-13(19)11-12-7-9-21-10-8-12/h12,14H,7-11H2,1-6H3,(H,18,19)
InChIKeyVZBJNJJDBROAAN-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The IUPAC name of 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (CID 58938939) is 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The canonical SMILES for 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is CC(C)(C)C(=O)C(NC(=O)CC1CCOCC1)C(C)(C)C.
What is the InChIKey of 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The InChIKey is VZBJNJJDBROAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)14(15(20)17(4,5)6)18-13(19)11-12-7-9-21-10-8-12/h12,14H,7-11H2,1-6H3,(H,18,19).
What are the key properties of 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is sourced from PubChem (CID 58938939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).