4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

C24H28N2O4 — CID 7454171

IUPAC4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)oc2ccc(O)c(CN3C[C@@H](C)O[C@H](C)C3)c12
InChIInChI=1S/C24H28N2O4/c1-14-7-5-6-8-19(14)25-24(28)22-17(4)30-21-10-9-20(27)18(23(21)22)13-26-11-15(2)29-16(3)12-26/h5-10,15-16,27H,11-13H2,1-4H3,(H,25,28)/t15-,16-/m1/s1
InChIKeyKCHQTDNPLJOTLN-HZPDHXFCSA-N
MW408.50 g/mol
LogP4.62
Rot. Bonds4

About 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 7454171) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
PubChem CID7454171
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)oc2ccc(O)c(CN3C[C@@H](C)O[C@H](C)C3)c12
InChIInChI=1S/C24H28N2O4/c1-14-7-5-6-8-19(14)25-24(28)22-17(4)30-21-10-9-20(27)18(23(21)22)13-26-11-15(2)29-16(3)12-26/h5-10,15-16,27H,11-13H2,1-4H3,(H,25,28)/t15-,16-/m1/s1
InChIKeyKCHQTDNPLJOTLN-HZPDHXFCSA-N
XLogP4.62
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide (CID 7454171) is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide is Cc1ccccc1NC(=O)c1c(C)oc2ccc(O)c(CN3C[C@@H](C)O[C@H](C)C3)c12.
What is the InChIKey of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide?
The InChIKey is KCHQTDNPLJOTLN-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-14-7-5-6-8-19(14)25-24(28)22-17(4)30-21-10-9-20(27)18(23(21)22)13-26-11-15(2)29-16(3)12-26/h5-10,15-16,27H,11-13H2,1-4H3,(H,25,28)/t15-,16-/m1/s1.
What are the key properties of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide?
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 7454171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).