N-(4-cyclohexylcyclooctyl)benzamide

C21H31NO — CID 166761299

IUPACN-(4-cyclohexylcyclooctyl)benzamide
SMILESO=C(NC1CCCCC(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H31NO/c23-21(19-12-5-2-6-13-19)22-20-14-8-7-11-18(15-16-20)17-9-3-1-4-10-17/h2,5-6,12-13,17-18,20H,1,3-4,7-11,14-16H2,(H,22,23)
InChIKeyLVIHCTIYNJNGMJ-UHFFFAOYSA-N
MW313.48 g/mol
LogP5.34
Rot. Bonds3

About N-(4-cyclohexylcyclooctyl)benzamide

N-(4-cyclohexylcyclooctyl)benzamide (PubChem CID 166761299) has the molecular formula C21H31NO and a molecular weight of 313.48 g/mol. Its IUPAC name is N-(4-cyclohexylcyclooctyl)benzamide.

Molecular Properties

Compound NameN-(4-cyclohexylcyclooctyl)benzamide
PubChem CID166761299
Molecular FormulaC21H31NO
Molecular Weight313.48 g/mol
Exact Mass313.24
IUPAC NameN-(4-cyclohexylcyclooctyl)benzamide
SMILESO=C(NC1CCCCC(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H31NO/c23-21(19-12-5-2-6-13-19)22-20-14-8-7-11-18(15-16-20)17-9-3-1-4-10-17/h2,5-6,12-13,17-18,20H,1,3-4,7-11,14-16H2,(H,22,23)
InChIKeyLVIHCTIYNJNGMJ-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18158922
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CID 162413699
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N-cyclooctyl-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylcyclooctyl)benzamide?
The IUPAC name of N-(4-cyclohexylcyclooctyl)benzamide (CID 166761299) is N-(4-cyclohexylcyclooctyl)benzamide.
What is the SMILES notation for N-(4-cyclohexylcyclooctyl)benzamide?
The canonical SMILES for N-(4-cyclohexylcyclooctyl)benzamide is O=C(NC1CCCCC(C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of N-(4-cyclohexylcyclooctyl)benzamide?
The InChIKey is LVIHCTIYNJNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c23-21(19-12-5-2-6-13-19)22-20-14-8-7-11-18(15-16-20)17-9-3-1-4-10-17/h2,5-6,12-13,17-18,20H,1,3-4,7-11,14-16H2,(H,22,23).
What are the key properties of N-(4-cyclohexylcyclooctyl)benzamide?
N-(4-cyclohexylcyclooctyl)benzamide has a molecular weight of 313.48 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylcyclooctyl)benzamide is sourced from PubChem (CID 166761299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).