N-cyclooctyl-2-methylbenzamide

C16H23NO — CID 3329711

IUPACN-cyclooctyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C16H23NO/c1-13-9-7-8-12-15(13)16(18)17-14-10-5-3-2-4-6-11-14/h7-9,12,14H,2-6,10-11H2,1H3,(H,17,18)
InChIKeyHRNLIXWVLQJDGK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.84
Rot. Bonds2

About N-cyclooctyl-2-methylbenzamide

N-cyclooctyl-2-methylbenzamide (PubChem CID 3329711) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-cyclooctyl-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclooctyl-2-methylbenzamide
PubChem CID3329711
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-cyclooctyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C16H23NO/c1-13-9-7-8-12-15(13)16(18)17-14-10-5-3-2-4-6-11-14/h7-9,12,14H,2-6,10-11H2,1H3,(H,17,18)
InChIKeyHRNLIXWVLQJDGK-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-cyclooctyl-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-methylbenzamide?
The IUPAC name of N-cyclooctyl-2-methylbenzamide (CID 3329711) is N-cyclooctyl-2-methylbenzamide.
What is the SMILES notation for N-cyclooctyl-2-methylbenzamide?
The canonical SMILES for N-cyclooctyl-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-methylbenzamide?
The InChIKey is HRNLIXWVLQJDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-9-7-8-12-15(13)16(18)17-14-10-5-3-2-4-6-11-14/h7-9,12,14H,2-6,10-11H2,1H3,(H,17,18).
What are the key properties of N-cyclooctyl-2-methylbenzamide?
N-cyclooctyl-2-methylbenzamide has a molecular weight of 245.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-methylbenzamide is sourced from PubChem (CID 3329711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).