2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

C21H20N2O2 — CID 42907688

IUPAC2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-18-12-10-16(11-13-18)15-20(24)23-21(17-7-3-2-4-8-17)19-9-5-6-14-22-19/h2-14,21H,15H2,1H3,(H,23,24)
InChIKeyCLLCJXMMFPUPBH-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 42907688) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID42907688
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-18-12-10-16(11-13-18)15-20(24)23-21(17-7-3-2-4-8-17)19-9-5-6-14-22-19/h2-14,21H,15H2,1H3,(H,23,24)
InChIKeyCLLCJXMMFPUPBH-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
3-(4-methoxyphenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 51688774
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 24509475
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 42907688) is 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is COc1ccc(CC(=O)NC(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is CLLCJXMMFPUPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-18-12-10-16(11-13-18)15-20(24)23-21(17-7-3-2-4-8-17)19-9-5-6-14-22-19/h2-14,21H,15H2,1H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 42907688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).