N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide

C25H30N2O4 — CID 7540219

IUPACN-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12
InChIInChI=1S/C25H30N2O4/c1-4-17-7-6-8-18(5-2)24(17)26-25(29)22-16(3)31-21-10-9-20(28)19(23(21)22)15-27-11-13-30-14-12-27/h6-10,28H,4-5,11-15H2,1-3H3,(H,26,29)
InChIKeyULPDRRBMLLBVBD-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.66
Rot. Bonds6

About N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide

N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 7540219) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID7540219
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12
InChIInChI=1S/C25H30N2O4/c1-4-17-7-6-8-18(5-2)24(17)26-25(29)22-16(3)31-21-10-9-20(28)19(23(21)22)15-27-11-13-30-14-12-27/h6-10,28H,4-5,11-15H2,1-3H3,(H,26,29)
InChIKeyULPDRRBMLLBVBD-UHFFFAOYSA-N
XLogP4.66
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
CID 53314502
N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540208
5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 7539994
ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate chloride
CID 46863701
5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide
CID 7540100
4-(azepan-1-ylmethyl)-N-cyclohexyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540289
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
CID 7454171
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7454157
5-hydroxy-2-methyl-N-(4-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540213
N-benzyl-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540210
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide (CID 7540219) is N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12.
What is the InChIKey of N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is ULPDRRBMLLBVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-4-17-7-6-8-18(5-2)24(17)26-25(29)22-16(3)31-21-10-9-20(28)19(23(21)22)15-27-11-13-30-14-12-27/h6-10,28H,4-5,11-15H2,1-3H3,(H,26,29).
What are the key properties of N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide?
N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 7540219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).