4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide

C17H20N2O2 — CID 127115863

IUPAC4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1ccccc1OCCCC(=O)NCc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-14-7-2-3-9-16(14)21-12-6-10-17(20)19-13-15-8-4-5-11-18-15/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,19,20)
InChIKeyJKJSHRWYIJIWQV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.87
Rot. Bonds7

About 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide

4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 127115863) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID127115863
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1ccccc1OCCCC(=O)NCc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-14-7-2-3-9-16(14)21-12-6-10-17(20)19-13-15-8-4-5-11-18-15/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,19,20)
InChIKeyJKJSHRWYIJIWQV-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.87
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

4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide (CID 127115863) is 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide is Cc1ccccc1OCCCC(=O)NCc1ccccn1.
What is the InChIKey of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is JKJSHRWYIJIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14-7-2-3-9-16(14)21-12-6-10-17(20)19-13-15-8-4-5-11-18-15/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,19,20).
What are the key properties of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide?
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 284.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 127115863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).