4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide

C18H20N4O3 — CID 131904939

IUPAC4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
SMILESCOCCn1cnnc1CN(C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H20N4O3/c1-21(12-17-20-19-13-22(17)9-11-24-2)18(23)15-7-5-14(6-8-15)16-4-3-10-25-16/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyVLAZBBJMICZXFN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.46
Rot. Bonds7

About 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide

4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide (PubChem CID 131904939) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
PubChem CID131904939
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
SMILESCOCCn1cnnc1CN(C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H20N4O3/c1-21(12-17-20-19-13-22(17)9-11-24-2)18(23)15-7-5-14(6-8-15)16-4-3-10-25-16/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyVLAZBBJMICZXFN-UHFFFAOYSA-N
XLogP2.46
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 131914732
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 121269426
N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
CID 121269393
N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide
CID 123540454
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 135114299
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-2-methylhex-2-enoic acid
CID 121269406
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]-1-methylbenzimidazole-5-carboxylic acid
CID 134706798

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide (CID 131904939) is 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide is COCCn1cnnc1CN(C)C(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide?
The InChIKey is VLAZBBJMICZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21(12-17-20-19-13-22(17)9-11-24-2)18(23)15-7-5-14(6-8-15)16-4-3-10-25-16/h3-8,10,13H,9,11-12H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide?
4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 131904939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).