3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide

C26H23NO3 — CID 1289723

IUPAC3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc3ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-25-16-21(14-15-24(25)30-18-19-8-3-2-4-9-19)26(28)27-17-22-12-7-11-20-10-5-6-13-23(20)22/h2-16H,17-18H2,1H3,(H,27,28)
InChIKeyCLQYFTFPGNIFKP-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.36
Rot. Bonds7

About 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide

3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide (PubChem CID 1289723) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide
PubChem CID1289723
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc3ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-25-16-21(14-15-24(25)30-18-19-8-3-2-4-9-19)26(28)27-17-22-12-7-11-20-10-5-6-13-23(20)22/h2-16H,17-18H2,1H3,(H,27,28)
InChIKeyCLQYFTFPGNIFKP-UHFFFAOYSA-N
XLogP5.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide (CID 1289723) is 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide is COc1cc(C(=O)NCc2cccc3ccccc23)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide?
The InChIKey is CLQYFTFPGNIFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-29-25-16-21(14-15-24(25)30-18-19-8-3-2-4-9-19)26(28)27-17-22-12-7-11-20-10-5-6-13-23(20)22/h2-16H,17-18H2,1H3,(H,27,28).
What are the key properties of 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide?
3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide has a molecular weight of 397.47 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(naphthalen-1-ylmethyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 1289723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).