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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Related Compounds

Piclozotan
CID 9801640
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CID 799060
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
ROCK inhibitor-2
CID 51003130
N-[(2S,3S)-2-[[benzyl(methyl)amino]methyl]-3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
CID 57345719
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
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CID 2800172

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).