2-octoxybenzamide

C15H23NO2 — CID 3042755

IUPAC2-octoxybenzamide
SMILESCCCCCCCCOc1ccccc1C(N)=O
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H2,16,17)
InChIKeyZYVUDNVAWMXRMR-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.52
Rot. Bonds9

About 2-octoxybenzamide

2-octoxybenzamide (PubChem CID 3042755) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-octoxybenzamide.

Molecular Properties

Compound Name2-octoxybenzamide
PubChem CID3042755
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-octoxybenzamide
SMILESCCCCCCCCOc1ccccc1C(N)=O
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H2,16,17)
InChIKeyZYVUDNVAWMXRMR-UHFFFAOYSA-N
XLogP3.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-octoxybenzamide?
The IUPAC name of 2-octoxybenzamide (CID 3042755) is 2-octoxybenzamide.
What is the SMILES notation for 2-octoxybenzamide?
The canonical SMILES for 2-octoxybenzamide is CCCCCCCCOc1ccccc1C(N)=O.
What is the InChIKey of 2-octoxybenzamide?
The InChIKey is ZYVUDNVAWMXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H2,16,17).
What are the key properties of 2-octoxybenzamide?
2-octoxybenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxybenzamide is sourced from PubChem (CID 3042755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).