2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide

C18H22N2O2 — CID 110767628

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(C(C)C)cc1CC(=O)NCc1cccnc1
InChIInChI=1S/C18H22N2O2/c1-13(2)15-6-7-17(22-3)16(9-15)10-18(21)20-12-14-5-4-8-19-11-14/h4-9,11,13H,10,12H2,1-3H3,(H,20,21)
InChIKeyXBNCPEGMKGJXAW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.07
Rot. Bonds6

About 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide

2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 110767628) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID110767628
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(C(C)C)cc1CC(=O)NCc1cccnc1
InChIInChI=1S/C18H22N2O2/c1-13(2)15-6-7-17(22-3)16(9-15)10-18(21)20-12-14-5-4-8-19-11-14/h4-9,11,13H,10,12H2,1-3H3,(H,20,21)
InChIKeyXBNCPEGMKGJXAW-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-sulfanylacetamide
CID 115167149
2-(2-methoxyphenyl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 131702715
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 3443765
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 68909664
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-sulfanylpropanamide
CID 115167836
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 110767628) is 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(C(C)C)cc1CC(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XBNCPEGMKGJXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)15-6-7-17(22-3)16(9-15)10-18(21)20-12-14-5-4-8-19-11-14/h4-9,11,13H,10,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 110767628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).