2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide

C23H24N2O4 — CID 58181470

IUPAC2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILESCC1=Cc2cc(NC(=O)C(O)C3OCCN(c4ccc(C)cc4)C3=O)ccc2C1
InChIInChI=1S/C23H24N2O4/c1-14-3-7-19(8-4-14)25-9-10-29-21(23(25)28)20(26)22(27)24-18-6-5-16-11-15(2)12-17(16)13-18/h3-8,12-13,20-21,26H,9-11H2,1-2H3,(H,24,27)
InChIKeyRDMLJOMWKMJVED-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.69
Rot. Bonds4

About 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide

2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (PubChem CID 58181470) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
PubChem CID58181470
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILESCC1=Cc2cc(NC(=O)C(O)C3OCCN(c4ccc(C)cc4)C3=O)ccc2C1
InChIInChI=1S/C23H24N2O4/c1-14-3-7-19(8-4-14)25-9-10-29-21(23(25)28)20(26)22(27)24-18-6-5-16-11-15(2)12-17(16)13-18/h3-8,12-13,20-21,26H,9-11H2,1-2H3,(H,24,27)
InChIKeyRDMLJOMWKMJVED-UHFFFAOYSA-N
XLogP2.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (CID 58181470) is 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is CC1=Cc2cc(NC(=O)C(O)C3OCCN(c4ccc(C)cc4)C3=O)ccc2C1.
What is the InChIKey of 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The InChIKey is RDMLJOMWKMJVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-3-7-19(8-4-14)25-9-10-29-21(23(25)28)20(26)22(27)24-18-6-5-16-11-15(2)12-17(16)13-18/h3-8,12-13,20-21,26H,9-11H2,1-2H3,(H,24,27).
What are the key properties of 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 58181470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).