2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide

C19H20N2O4 — CID 90579328

IUPAC2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC#CCOc1ccc(C)nc1
InChIInChI=1S/C19H20N2O4/c1-15-9-10-16(13-21-15)24-12-6-5-11-20-19(22)14-25-18-8-4-3-7-17(18)23-2/h3-4,7-10,13H,11-12,14H2,1-2H3,(H,20,22)
InChIKeyJVFRSIPQWCLPNQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.98
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide

2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide (PubChem CID 90579328) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
PubChem CID90579328
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC#CCOc1ccc(C)nc1
InChIInChI=1S/C19H20N2O4/c1-15-9-10-16(13-21-15)24-12-6-5-11-20-19(22)14-25-18-8-4-3-7-17(18)23-2/h3-4,7-10,13H,11-12,14H2,1-2H3,(H,20,22)
InChIKeyJVFRSIPQWCLPNQ-UHFFFAOYSA-N
XLogP1.98
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
CID 90579339
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-phenylpropanamide
CID 90579351
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
1-(2,3-dimethoxyphenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579478
2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579264
2-(1,2-benzoxazol-3-yl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579211
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3,3-dimethylbutanamide
CID 90575523
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
CID 90579362
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]pyrazole-5-carboxamide
CID 90579434
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide (CID 90579328) is 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide is COc1ccccc1OCC(=O)NCC#CCOc1ccc(C)nc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide?
The InChIKey is JVFRSIPQWCLPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-15-9-10-16(13-21-15)24-12-6-5-11-20-19(22)14-25-18-8-4-3-7-17(18)23-2/h3-4,7-10,13H,11-12,14H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide?
2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide is sourced from PubChem (CID 90579328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).