2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide

C17H29NO — CID 6624535

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCCCCCC1
InChIInChI=1S/C17H29NO/c19-17(12-15-11-13-8-9-14(15)10-13)18-16-6-4-2-1-3-5-7-16/h13-16H,1-12H2,(H,18,19)
InChIKeyKBUVFTNXUZAZSD-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.04
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide (PubChem CID 6624535) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide
PubChem CID6624535
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCCCCCC1
InChIInChI=1S/C17H29NO/c19-17(12-15-11-13-8-9-14(15)10-13)18-16-6-4-2-1-3-5-7-16/h13-16H,1-12H2,(H,18,19)
InChIKeyKBUVFTNXUZAZSD-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide (CID 6624535) is 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide is O=C(CC1CC2CCC1C2)NC1CCCCCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide?
The InChIKey is KBUVFTNXUZAZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c19-17(12-15-11-13-8-9-14(15)10-13)18-16-6-4-2-1-3-5-7-16/h13-16H,1-12H2,(H,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide has a molecular weight of 263.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-cyclooctylacetamide is sourced from PubChem (CID 6624535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).