2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide

C29H25NO4 — CID 146201841

IUPAC2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide
SMILESCN(OCCc1cc(-c2ccccc2)ccc1-c1cccc(O)c1)C(=O)c1ccccc1C=O
InChIInChI=1S/C29H25NO4/c1-30(29(33)28-13-6-5-10-25(28)20-31)34-17-16-24-18-22(21-8-3-2-4-9-21)14-15-27(24)23-11-7-12-26(32)19-23/h2-15,18-20,32H,16-17H2,1H3
InChIKeyUVPHBWVIZAOQQR-UHFFFAOYSA-N
MW451.52 g/mol
LogP5.78
Rot. Bonds8

About 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide

2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide (PubChem CID 146201841) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide.

Molecular Properties

Compound Name2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide
PubChem CID146201841
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Name2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide
SMILESCN(OCCc1cc(-c2ccccc2)ccc1-c1cccc(O)c1)C(=O)c1ccccc1C=O
InChIInChI=1S/C29H25NO4/c1-30(29(33)28-13-6-5-10-25(28)20-31)34-17-16-24-18-22(21-8-3-2-4-9-21)14-15-27(24)23-11-7-12-26(32)19-23/h2-15,18-20,32H,16-17H2,1H3
InChIKeyUVPHBWVIZAOQQR-UHFFFAOYSA-N
XLogP5.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide?
The IUPAC name of 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide (CID 146201841) is 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide.
What is the SMILES notation for 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide?
The canonical SMILES for 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide is CN(OCCc1cc(-c2ccccc2)ccc1-c1cccc(O)c1)C(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide?
The InChIKey is UVPHBWVIZAOQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4/c1-30(29(33)28-13-6-5-10-25(28)20-31)34-17-16-24-18-22(21-8-3-2-4-9-21)14-15-27(24)23-11-7-12-26(32)19-23/h2-15,18-20,32H,16-17H2,1H3.
What are the key properties of 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide?
2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide has a molecular weight of 451.52 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-[2-[2-(3-hydroxyphenyl)-5-phenylphenyl]ethoxy]-N-methylbenzamide is sourced from PubChem (CID 146201841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).