N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide

C22H24N2O4 — CID 56500250

IUPACN-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
SMILESCOCCOc1ncccc1NC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C22H24N2O4/c1-26-15-16-28-22-19(10-5-13-23-22)24-21(25)12-6-14-27-20-11-4-8-17-7-2-3-9-18(17)20/h2-5,7-11,13H,6,12,14-16H2,1H3,(H,24,25)
InChIKeyALEPYDCNCGIAPR-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.06
Rot. Bonds10

About N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide

N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 56500250) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
PubChem CID56500250
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
SMILESCOCCOc1ncccc1NC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C22H24N2O4/c1-26-15-16-28-22-19(10-5-13-23-22)24-21(25)12-6-14-27-20-11-4-8-17-7-2-3-9-18(17)20/h2-5,7-11,13H,6,12,14-16H2,1H3,(H,24,25)
InChIKeyALEPYDCNCGIAPR-UHFFFAOYSA-N
XLogP4.06
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.06
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 N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide (CID 56500250) is N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide is COCCOc1ncccc1NC(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is ALEPYDCNCGIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-15-16-28-22-19(10-5-13-23-22)24-21(25)12-6-14-27-20-11-4-8-17-7-2-3-9-18(17)20/h2-5,7-11,13H,6,12,14-16H2,1H3,(H,24,25).
What are the key properties of N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 380.44 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 56500250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).