N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide

C27H44N2O — CID 139313066

IUPACN-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
SMILESCCCc1c(CC)ncc(NC(=O)C2CCCCCCC2)c1C1CCCCCCC1
InChIInChI=1S/C27H44N2O/c1-3-15-23-24(4-2)28-20-25(26(23)21-16-11-7-5-8-12-17-21)29-27(30)22-18-13-9-6-10-14-19-22/h20-22H,3-19H2,1-2H3,(H,29,30)
InChIKeyDQLZMUWLFHTMDT-UHFFFAOYSA-N
MW412.66 g/mol
LogP7.72
Rot. Bonds6

About N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide

N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide (PubChem CID 139313066) has the molecular formula C27H44N2O and a molecular weight of 412.66 g/mol. Its IUPAC name is N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
PubChem CID139313066
Molecular FormulaC27H44N2O
Molecular Weight412.66 g/mol
Exact Mass412.35
IUPAC NameN-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
SMILESCCCc1c(CC)ncc(NC(=O)C2CCCCCCC2)c1C1CCCCCCC1
InChIInChI=1S/C27H44N2O/c1-3-15-23-24(4-2)28-20-25(26(23)21-16-11-7-5-8-12-17-21)29-27(30)22-18-13-9-6-10-14-19-22/h20-22H,3-19H2,1-2H3,(H,29,30)
InChIKeyDQLZMUWLFHTMDT-UHFFFAOYSA-N
XLogP7.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
The IUPAC name of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide (CID 139313066) is N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
The canonical SMILES for N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide is CCCc1c(CC)ncc(NC(=O)C2CCCCCCC2)c1C1CCCCCCC1.
What is the InChIKey of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
The InChIKey is DQLZMUWLFHTMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2O/c1-3-15-23-24(4-2)28-20-25(26(23)21-16-11-7-5-8-12-17-21)29-27(30)22-18-13-9-6-10-14-19-22/h20-22H,3-19H2,1-2H3,(H,29,30).
What are the key properties of N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide?
N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide has a molecular weight of 412.66 g/mol, XLogP of 7.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide is sourced from PubChem (CID 139313066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).