4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide

C19H23N3O3 — CID 86792150

IUPAC4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ncccc2N(C)C)cc1
InChIInChI=1S/C19H23N3O3/c1-14(23)15-8-10-16(11-9-15)25-13-5-7-18(24)21-19-17(22(2)3)6-4-12-20-19/h4,6,8-12H,5,7,13H2,1-3H3,(H,20,21,24)
InChIKeyYQYDDFWBJTUECH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.15
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide

4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide (PubChem CID 86792150) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide
PubChem CID86792150
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ncccc2N(C)C)cc1
InChIInChI=1S/C19H23N3O3/c1-14(23)15-8-10-16(11-9-15)25-13-5-7-18(24)21-19-17(22(2)3)6-4-12-20-19/h4,6,8-12H,5,7,13H2,1-3H3,(H,20,21,24)
InChIKeyYQYDDFWBJTUECH-UHFFFAOYSA-N
XLogP3.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16582380
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 112762986
N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096727
4-(4-acetylphenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]butanamide
CID 78806576
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
CID 27364869
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
CID 4270360

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide (CID 86792150) is 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2ncccc2N(C)C)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide?
The InChIKey is YQYDDFWBJTUECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(23)15-8-10-16(11-9-15)25-13-5-7-18(24)21-19-17(22(2)3)6-4-12-20-19/h4,6,8-12H,5,7,13H2,1-3H3,(H,20,21,24).
What are the key properties of 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide?
4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide has a molecular weight of 341.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 86792150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).