2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide

C29H27NO3 — CID 16663908

IUPAC2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
SMILESCOc1ccccc1-c1ccc(OCc2ccccc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C29H27NO3/c1-32-28-15-9-8-14-26(28)25-17-16-24(33-21-23-12-6-3-7-13-23)20-27(25)29(31)30-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3,(H,30,31)
InChIKeyAXQHSSRKHWZYAJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.91
Rot. Bonds9

About 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide

2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide (PubChem CID 16663908) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
PubChem CID16663908
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
SMILESCOc1ccccc1-c1ccc(OCc2ccccc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C29H27NO3/c1-32-28-15-9-8-14-26(28)25-17-16-24(33-21-23-12-6-3-7-13-23)20-27(25)29(31)30-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3,(H,30,31)
InChIKeyAXQHSSRKHWZYAJ-UHFFFAOYSA-N
XLogP5.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide (CID 16663908) is 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide is COc1ccccc1-c1ccc(OCc2ccccc2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide?
The InChIKey is AXQHSSRKHWZYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-32-28-15-9-8-14-26(28)25-17-16-24(33-21-23-12-6-3-7-13-23)20-27(25)29(31)30-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3,(H,30,31).
What are the key properties of 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide?
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide has a molecular weight of 437.54 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 16663908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).