4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide

C17H20N2O2 — CID 51188569

IUPAC4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-5-7-15(8-6-13)21-11-3-4-17(20)19-16-12-14(2)9-10-18-16/h5-10,12H,3-4,11H2,1-2H3,(H,18,19,20)
InChIKeyPOOWXASHZYOZTL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.50
Rot. Bonds6

About 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide

4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide (PubChem CID 51188569) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
PubChem CID51188569
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-5-7-15(8-6-13)21-11-3-4-17(20)19-16-12-14(2)9-10-18-16/h5-10,12H,3-4,11H2,1-2H3,(H,18,19,20)
InChIKeyPOOWXASHZYOZTL-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 52714970
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 649235
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 24538133

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide (CID 51188569) is 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide is Cc1ccc(OCCCC(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
The InChIKey is POOWXASHZYOZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-5-7-15(8-6-13)21-11-3-4-17(20)19-16-12-14(2)9-10-18-16/h5-10,12H,3-4,11H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 51188569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).