4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide

C18H20N2O3 — CID 35344400

IUPAC4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-5-10-17(19-12-13)20-18(22)4-3-11-23-16-8-6-15(7-9-16)14(2)21/h5-10,12H,3-4,11H2,1-2H3,(H,19,20,22)
InChIKeyARFBJRZEKNOVSO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.39
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide

4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide (PubChem CID 35344400) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
PubChem CID35344400
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-5-10-17(19-12-13)20-18(22)4-3-11-23-16-8-6-15(7-9-16)14(2)21/h5-10,12H,3-4,11H2,1-2H3,(H,19,20,22)
InChIKeyARFBJRZEKNOVSO-UHFFFAOYSA-N
XLogP3.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2547257
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 52714969
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide (CID 35344400) is 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C)cn2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
The InChIKey is ARFBJRZEKNOVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-5-10-17(19-12-13)20-18(22)4-3-11-23-16-8-6-15(7-9-16)14(2)21/h5-10,12H,3-4,11H2,1-2H3,(H,19,20,22).
What are the key properties of 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide has a molecular weight of 312.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 35344400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).