2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C18H20N2O3 — CID 134017563

IUPAC2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C18H20N2O3/c1-14(21)15-6-5-8-17(12-15)23-13-18(22)20(2)11-9-16-7-3-4-10-19-16/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyINWJLAPUQPCDNX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.36
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 134017563) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID134017563
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C18H20N2O3/c1-14(21)15-6-5-8-17(12-15)23-13-18(22)20(2)11-9-16-7-3-4-10-19-16/h3-8,10,12H,9,11,13H2,1-2H3
InChIKeyINWJLAPUQPCDNX-UHFFFAOYSA-N
XLogP2.36
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 95040643
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid
CID 134110040
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 55328875
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 112791758

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 134017563) is 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CC(=O)c1cccc(OCC(=O)N(C)CCc2ccccn2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is INWJLAPUQPCDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14(21)15-6-5-8-17(12-15)23-13-18(22)20(2)11-9-16-7-3-4-10-19-16/h3-8,10,12H,9,11,13H2,1-2H3.
What are the key properties of 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 134017563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).