4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide

C18H22N2O4 — CID 2999530

IUPAC4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C18H22N2O4/c1-3-23-15-7-4-5-8-16(15)24-12-6-9-17(21)20-14-10-11-18(22-2)19-13-14/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,20,21)
InChIKeyQVQGWTUKMGPULN-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.29
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide

4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide (PubChem CID 2999530) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
PubChem CID2999530
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C18H22N2O4/c1-3-23-15-7-4-5-8-16(15)24-12-6-9-17(21)20-14-10-11-18(22-2)19-13-14/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,20,21)
InChIKeyQVQGWTUKMGPULN-UHFFFAOYSA-N
XLogP3.29
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide (CID 2999530) is 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccc(OC)nc1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
The InChIKey is QVQGWTUKMGPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-15-7-4-5-8-16(15)24-12-6-9-17(21)20-14-10-11-18(22-2)19-13-14/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide has a molecular weight of 330.38 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide is sourced from PubChem (CID 2999530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).