4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide

C18H22N2O3 — CID 87041312

IUPAC4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2cccc(C)n2)cc1
InChIInChI=1S/C18H22N2O3/c1-14-5-3-6-15(20-14)13-19-18(21)7-4-12-23-17-10-8-16(22-2)9-11-17/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,19,21)
InChIKeyFOVTWMSPZRAOLT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.87
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide

4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide (PubChem CID 87041312) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
PubChem CID87041312
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2cccc(C)n2)cc1
InChIInChI=1S/C18H22N2O3/c1-14-5-3-6-15(20-14)13-19-18(21)7-4-12-23-17-10-8-16(22-2)9-11-17/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,19,21)
InChIKeyFOVTWMSPZRAOLT-UHFFFAOYSA-N
XLogP2.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.87
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

3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
CID 62323721

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide (CID 87041312) is 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide is COc1ccc(OCCCC(=O)NCc2cccc(C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
The InChIKey is FOVTWMSPZRAOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-5-3-6-15(20-14)13-19-18(21)7-4-12-23-17-10-8-16(22-2)9-11-17/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide?
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 87041312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).