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

C22H22N2O4 — CID 58181423

IUPAC2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILESCc1ccc(N2CCOC(C(O)C(=O)Nc3ccc4c(c3)C=CC4)C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-14-5-9-18(10-6-14)24-11-12-28-20(22(24)27)19(25)21(26)23-17-8-7-15-3-2-4-16(15)13-17/h2,4-10,13,19-20,25H,3,11-12H2,1H3,(H,23,26)
InChIKeyMSYWWQVASOUALU-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.30
Rot. Bonds4

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

2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (PubChem CID 58181423) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
PubChem CID58181423
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILESCc1ccc(N2CCOC(C(O)C(=O)Nc3ccc4c(c3)C=CC4)C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-14-5-9-18(10-6-14)24-11-12-28-20(22(24)27)19(25)21(26)23-17-8-7-15-3-2-4-16(15)13-17/h2,4-10,13,19-20,25H,3,11-12H2,1H3,(H,23,26)
InChIKeyMSYWWQVASOUALU-UHFFFAOYSA-N
XLogP2.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (CID 58181423) is 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is Cc1ccc(N2CCOC(C(O)C(=O)Nc3ccc4c(c3)C=CC4)C2=O)cc1.
What is the InChIKey of 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The InChIKey is MSYWWQVASOUALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-5-9-18(10-6-14)24-11-12-28-20(22(24)27)19(25)21(26)23-17-8-7-15-3-2-4-16(15)13-17/h2,4-10,13,19-20,25H,3,11-12H2,1H3,(H,23,26).
What are the key properties of 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 58181423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).