N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide

C22H23N3O4 — CID 113014703

IUPACN-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)COc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-8-10-20(11-9-18)28-14-13-23-21-12-7-17(15-24-21)25-22(26)16-29-19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyZDIOOQWKUUMRMH-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.60
Rot. Bonds10

About N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide

N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide (PubChem CID 113014703) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
PubChem CID113014703
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)COc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-8-10-20(11-9-18)28-14-13-23-21-12-7-17(15-24-21)25-22(26)16-29-19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyZDIOOQWKUUMRMH-UHFFFAOYSA-N
XLogP3.60
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide (CID 113014703) is N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide is COc1ccc(OCCNc2ccc(NC(=O)COc3ccccc3)cn2)cc1.
What is the InChIKey of N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide?
The InChIKey is ZDIOOQWKUUMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-8-10-20(11-9-18)28-14-13-23-21-12-7-17(15-24-21)25-22(26)16-29-19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide?
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide has a molecular weight of 393.44 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 113014703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).