4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide

C18H33NO3 — CID 58939018

IUPAC4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C18H33NO3/c1-17(2,3)14(15(20)18(4,5)6)19-16(21)12-8-10-13(22-7)11-9-12/h12-14H,8-11H2,1-7H3,(H,19,21)
InChIKeyLRKGSOCCTUJSIS-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.34
Rot. Bonds4

About 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide

4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide (PubChem CID 58939018) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide
PubChem CID58939018
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C18H33NO3/c1-17(2,3)14(15(20)18(4,5)6)19-16(21)12-8-10-13(22-7)11-9-12/h12-14H,8-11H2,1-7H3,(H,19,21)
InChIKeyLRKGSOCCTUJSIS-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 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide (CID 58939018) is 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide is COC1CCC(C(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)CC1.
What is the InChIKey of 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is LRKGSOCCTUJSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-17(2,3)14(15(20)18(4,5)6)19-16(21)12-8-10-13(22-7)11-9-12/h12-14H,8-11H2,1-7H3,(H,19,21).
What are the key properties of 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide?
4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide 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 4-methoxy-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58939018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).