2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide

C18H22N2O2 — CID 110769367

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1c(C)cc(CC(=O)NCc2ccncc2)c(C)c1C
InChIInChI=1S/C18H22N2O2/c1-12-9-16(13(2)14(3)18(12)22-4)10-17(21)20-11-15-5-7-19-8-6-15/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeySXAFJXJOYIWWRL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.87
Rot. Bonds5

About 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide

2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110769367) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110769367
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1c(C)cc(CC(=O)NCc2ccncc2)c(C)c1C
InChIInChI=1S/C18H22N2O2/c1-12-9-16(13(2)14(3)18(12)22-4)10-17(21)20-11-15-5-7-19-8-6-15/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeySXAFJXJOYIWWRL-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 115173093
2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110410763
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 110795702
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690200
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide (CID 110769367) is 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide is COc1c(C)cc(CC(=O)NCc2ccncc2)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is SXAFJXJOYIWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-9-16(13(2)14(3)18(12)22-4)10-17(21)20-11-15-5-7-19-8-6-15/h5-9H,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110769367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).