4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide

C24H28N4O4 — CID 71700922

IUPAC4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(CCc2nc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O4/c1-30-19-8-3-17(4-9-19)5-12-21-25-23(28-27-21)26-22(29)24(13-15-32-16-14-24)18-6-10-20(31-2)11-7-18/h3-4,6-11H,5,12-16H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyHVSWWMAVOYILQC-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.29
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide

4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide (PubChem CID 71700922) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide
PubChem CID71700922
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide
SMILESCOc1ccc(CCc2nc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O4/c1-30-19-8-3-17(4-9-19)5-12-21-25-23(28-27-21)26-22(29)24(13-15-32-16-14-24)18-6-10-20(31-2)11-7-18/h3-4,6-11H,5,12-16H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyHVSWWMAVOYILQC-UHFFFAOYSA-N
XLogP3.29
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide with MolForge

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71705341
N-[6-[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]ethyl]phenyl]-2-pyridinyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 159350527
4-(4-methoxyphenyl)-N-[6-[4-(2-methylsulfanylethyl)phenyl]-2-pyridinyl]oxane-4-carboxamide;dihydrate
CID 162085310
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CID 4250680
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
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CID 100686987
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71705159
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 47720644
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide (CID 71700922) is 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide is COc1ccc(CCc2nc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)n[nH]2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide?
The InChIKey is HVSWWMAVOYILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-19-8-3-17(4-9-19)5-12-21-25-23(28-27-21)26-22(29)24(13-15-32-16-14-24)18-6-10-20(31-2)11-7-18/h3-4,6-11H,5,12-16H2,1-2H3,(H2,25,26,27,28,29).
What are the key properties of 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 71700922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).