2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide

C21H20N2O2 — CID 118911741

IUPAC2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H20N2O2/c1-2-16-8-3-4-9-17(16)15-25-20-12-6-5-11-19(20)21(24)23-18-10-7-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyYRUSTWBJNUPPQI-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.48
Rot. Bonds6

About 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911741) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911741
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H20N2O2/c1-2-16-8-3-4-9-17(16)15-25-20-12-6-5-11-19(20)21(24)23-18-10-7-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyYRUSTWBJNUPPQI-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 118911741) is 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide is CCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is YRUSTWBJNUPPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-16-8-3-4-9-17(16)15-25-20-12-6-5-11-19(20)21(24)23-18-10-7-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24).
What are the key properties of 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).