N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide

C20H33N3O2 — CID 91911677

IUPACN-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCc1cnc(CCNC(=O)C2CCOCC2)n1C1CCCCCCC1
InChIInChI=1S/C20H33N3O2/c1-16-15-22-19(23(16)18-7-5-3-2-4-6-8-18)9-12-21-20(24)17-10-13-25-14-11-17/h15,17-18H,2-14H2,1H3,(H,21,24)
InChIKeyXGGNBSXCIPBSAN-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide

N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 91911677) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
PubChem CID91911677
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCc1cnc(CCNC(=O)C2CCOCC2)n1C1CCCCCCC1
InChIInChI=1S/C20H33N3O2/c1-16-15-22-19(23(16)18-7-5-3-2-4-6-8-18)9-12-21-20(24)17-10-13-25-14-11-17/h15,17-18H,2-14H2,1H3,(H,21,24)
InChIKeyXGGNBSXCIPBSAN-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide (CID 91911677) is N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide is Cc1cnc(CCNC(=O)C2CCOCC2)n1C1CCCCCCC1.
What is the InChIKey of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is XGGNBSXCIPBSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-15-22-19(23(16)18-7-5-3-2-4-6-8-18)9-12-21-20(24)17-10-13-25-14-11-17/h15,17-18H,2-14H2,1H3,(H,21,24).
What are the key properties of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?
N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 91911677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).