2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide

C21H20N2O2 — CID 53148272

IUPAC2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2cccnc2-c2ccccc2)c1
InChIInChI=1S/C21H20N2O2/c1-25-19-11-5-7-16(13-19)14-20(24)23-15-18-10-6-12-22-21(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyDATJSVMANQJSFG-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.62
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide

2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide (PubChem CID 53148272) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide
PubChem CID53148272
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2cccnc2-c2ccccc2)c1
InChIInChI=1S/C21H20N2O2/c1-25-19-11-5-7-16(13-19)14-20(24)23-15-18-10-6-12-22-21(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyDATJSVMANQJSFG-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide (CID 53148272) is 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide is COc1cccc(CC(=O)NCc2cccnc2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide?
The InChIKey is DATJSVMANQJSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-19-11-5-7-16(13-19)14-20(24)23-15-18-10-6-12-22-21(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,24).
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 53148272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).