3,4,5-triethoxy-N-(2-phenylphenyl)benzamide

C25H27NO4 — CID 1298841

IUPAC3,4,5-triethoxy-N-(2-phenylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C25H27NO4/c1-4-28-22-16-19(17-23(29-5-2)24(22)30-6-3)25(27)26-21-15-11-10-14-20(21)18-12-8-7-9-13-18/h7-17H,4-6H2,1-3H3,(H,26,27)
InChIKeyVTKUCWMKLPGRCU-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.80
Rot. Bonds9

About 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide

3,4,5-triethoxy-N-(2-phenylphenyl)benzamide (PubChem CID 1298841) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-phenylphenyl)benzamide
PubChem CID1298841
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name3,4,5-triethoxy-N-(2-phenylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C25H27NO4/c1-4-28-22-16-19(17-23(29-5-2)24(22)30-6-3)25(27)26-21-15-11-10-14-20(21)18-12-8-7-9-13-18/h7-17H,4-6H2,1-3H3,(H,26,27)
InChIKeyVTKUCWMKLPGRCU-UHFFFAOYSA-N
XLogP5.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide (CID 1298841) is 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide?
The InChIKey is VTKUCWMKLPGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-4-28-22-16-19(17-23(29-5-2)24(22)30-6-3)25(27)26-21-15-11-10-14-20(21)18-12-8-7-9-13-18/h7-17H,4-6H2,1-3H3,(H,26,27).
What are the key properties of 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide?
3,4,5-triethoxy-N-(2-phenylphenyl)benzamide has a molecular weight of 405.49 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 1298841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).