3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide

C23H23NO5 — CID 126484008

IUPAC3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
SMILESCOc1ccc(COc2cc(C(N)=O)cc(OC)c2OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO5/c1-26-19-10-8-17(9-11-19)14-28-21-13-18(23(24)25)12-20(27-2)22(21)29-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H2,24,25)
InChIKeyQITFSLQBTWPVFM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.96
Rot. Bonds9

About 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide

3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide (PubChem CID 126484008) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
PubChem CID126484008
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
SMILESCOc1ccc(COc2cc(C(N)=O)cc(OC)c2OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO5/c1-26-19-10-8-17(9-11-19)14-28-21-13-18(23(24)25)12-20(27-2)22(21)29-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H2,24,25)
InChIKeyQITFSLQBTWPVFM-UHFFFAOYSA-N
XLogP3.96
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide (CID 126484008) is 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide is COc1ccc(COc2cc(C(N)=O)cc(OC)c2OCc2ccccc2)cc1.
What is the InChIKey of 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide?
The InChIKey is QITFSLQBTWPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-26-19-10-8-17(9-11-19)14-28-21-13-18(23(24)25)12-20(27-2)22(21)29-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H2,24,25).
What are the key properties of 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide?
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide has a molecular weight of 393.44 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide is sourced from PubChem (CID 126484008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).