2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide

C18H20N2O4 — CID 126812818

IUPAC2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide
SMILESCOc1cnccc1CNC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C18H20N2O4/c1-12(21)14-5-4-6-16(9-14)24-13(2)18(22)20-10-15-7-8-19-11-17(15)23-3/h4-9,11,13H,10H2,1-3H3,(H,20,22)
InChIKeyYNKOAVBOBWAOSJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.38
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide

2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide (PubChem CID 126812818) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide
PubChem CID126812818
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide
SMILESCOc1cnccc1CNC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C18H20N2O4/c1-12(21)14-5-4-6-16(9-14)24-13(2)18(22)20-10-15-7-8-19-11-17(15)23-3/h4-9,11,13H,10H2,1-3H3,(H,20,22)
InChIKeyYNKOAVBOBWAOSJ-UHFFFAOYSA-N
XLogP2.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 51102404
(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide
CID 125141802
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
2-(3-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 43910190
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide (CID 126812818) is 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide is COc1cnccc1CNC(=O)C(C)Oc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide?
The InChIKey is YNKOAVBOBWAOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(21)14-5-4-6-16(9-14)24-13(2)18(22)20-10-15-7-8-19-11-17(15)23-3/h4-9,11,13H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide?
2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide has a molecular weight of 328.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 126812818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).