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

C18H33NO3 — CID 58938962

IUPAC2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCC1(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CCOCC1
InChIInChI=1S/C18H33NO3/c1-16(2,3)14(15(21)17(4,5)6)19-13(20)12-18(7)8-10-22-11-9-18/h14H,8-12H2,1-7H3,(H,19,20)
InChIKeyCPWDSNAEQSPOSO-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.34
Rot. Bonds4

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

2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (PubChem CID 58938962) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
PubChem CID58938962
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCC1(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CCOCC1
InChIInChI=1S/C18H33NO3/c1-16(2,3)14(15(21)17(4,5)6)19-13(20)12-18(7)8-10-22-11-9-18/h14H,8-12H2,1-7H3,(H,19,20)
InChIKeyCPWDSNAEQSPOSO-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The IUPAC name of 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (CID 58938962) is 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.
What is the SMILES notation for 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The canonical SMILES for 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is CC1(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CCOCC1.
What is the InChIKey of 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The InChIKey is CPWDSNAEQSPOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-16(2,3)14(15(21)17(4,5)6)19-13(20)12-18(7)8-10-22-11-9-18/h14H,8-12H2,1-7H3,(H,19,20).
What are the key properties of 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide has a molecular weight of 311.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyloxan-4-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is sourced from PubChem (CID 58938962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).