2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide

C18H22N2O2 — CID 46997861

IUPAC2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCN(Cc1cccnc1)C(=O)Cc1ccccc1OC
InChIInChI=1S/C18H22N2O2/c1-3-11-20(14-15-7-6-10-19-13-15)18(21)12-16-8-4-5-9-17(16)22-2/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyJRFLFVOWTLTWOP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.07
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide

2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 46997861) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID46997861
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCN(Cc1cccnc1)C(=O)Cc1ccccc1OC
InChIInChI=1S/C18H22N2O2/c1-3-11-20(14-15-7-6-10-19-13-15)18(21)12-16-8-4-5-9-17(16)22-2/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyJRFLFVOWTLTWOP-UHFFFAOYSA-N
XLogP3.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 61349722
N-[(2-methoxyphenyl)methyl]-2-methyl-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 46998936
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 92584798
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 72846941
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113119744
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide (CID 46997861) is 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide is CCCN(Cc1cccnc1)C(=O)Cc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JRFLFVOWTLTWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-11-20(14-15-7-6-10-19-13-15)18(21)12-16-8-4-5-9-17(16)22-2/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide?
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 46997861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).