N-(2-octoxyethyl)-2-phenylbenzamide

C23H31NO2 — CID 602182

IUPACN-(2-octoxyethyl)-2-phenylbenzamide
SMILESCCCCCCCCOCCNC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H31NO2/c1-2-3-4-5-6-12-18-26-19-17-24-23(25)22-16-11-10-15-21(22)20-13-8-7-9-14-20/h7-11,13-16H,2-6,12,17-19H2,1H3,(H,24,25)
InChIKeyPTNBVJXREUCHHS-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.46
Rot. Bonds12

About N-(2-octoxyethyl)-2-phenylbenzamide

N-(2-octoxyethyl)-2-phenylbenzamide (PubChem CID 602182) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(2-octoxyethyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(2-octoxyethyl)-2-phenylbenzamide
PubChem CID602182
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-(2-octoxyethyl)-2-phenylbenzamide
SMILESCCCCCCCCOCCNC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H31NO2/c1-2-3-4-5-6-12-18-26-19-17-24-23(25)22-16-11-10-15-21(22)20-13-8-7-9-14-20/h7-11,13-16H,2-6,12,17-19H2,1H3,(H,24,25)
InChIKeyPTNBVJXREUCHHS-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.46
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 N-(2-octoxyethyl)-2-phenylbenzamide?
The IUPAC name of N-(2-octoxyethyl)-2-phenylbenzamide (CID 602182) is N-(2-octoxyethyl)-2-phenylbenzamide.
What is the SMILES notation for N-(2-octoxyethyl)-2-phenylbenzamide?
The canonical SMILES for N-(2-octoxyethyl)-2-phenylbenzamide is CCCCCCCCOCCNC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-octoxyethyl)-2-phenylbenzamide?
The InChIKey is PTNBVJXREUCHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-2-3-4-5-6-12-18-26-19-17-24-23(25)22-16-11-10-15-21(22)20-13-8-7-9-14-20/h7-11,13-16H,2-6,12,17-19H2,1H3,(H,24,25).
What are the key properties of N-(2-octoxyethyl)-2-phenylbenzamide?
N-(2-octoxyethyl)-2-phenylbenzamide has a molecular weight of 353.51 g/mol, XLogP of 5.46, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-octoxyethyl)-2-phenylbenzamide is sourced from PubChem (CID 602182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).