2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide

C22H22N2O2 — CID 17447120

IUPAC2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccccc2)c2ccncc2)cc1C
InChIInChI=1S/C22H22N2O2/c1-16-8-9-20(14-17(16)2)26-15-21(25)24-22(18-6-4-3-5-7-18)19-10-12-23-13-11-19/h3-14,22H,15H2,1-2H3,(H,24,25)
InChIKeyJUIKETUAFVAJSV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide

2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide (PubChem CID 17447120) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide
PubChem CID17447120
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NC(c2ccccc2)c2ccncc2)cc1C
InChIInChI=1S/C22H22N2O2/c1-16-8-9-20(14-17(16)2)26-15-21(25)24-22(18-6-4-3-5-7-18)19-10-12-23-13-11-19/h3-14,22H,15H2,1-2H3,(H,24,25)
InChIKeyJUIKETUAFVAJSV-UHFFFAOYSA-N
XLogP3.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 24504283
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 51492437
2-(3-acetylphenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 78798600
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide (CID 17447120) is 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide is Cc1ccc(OCC(=O)NC(c2ccccc2)c2ccncc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The InChIKey is JUIKETUAFVAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-8-9-20(14-17(16)2)26-15-21(25)24-22(18-6-4-3-5-7-18)19-10-12-23-13-11-19/h3-14,22H,15H2,1-2H3,(H,24,25).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 17447120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).