5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide

C22H21N3O4 — CID 1080132

IUPAC5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2N2CCOCC2)cc1
InChIInChI=1S/C22H21N3O4/c1-15-2-4-16(5-3-15)23-22(28)18-14-17(25-20(26)8-9-21(25)27)6-7-19(18)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,28)
InChIKeyQKXCOBBZMYPLCG-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.51
Rot. Bonds4

About 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide

5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide (PubChem CID 1080132) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide
PubChem CID1080132
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2N2CCOCC2)cc1
InChIInChI=1S/C22H21N3O4/c1-15-2-4-16(5-3-15)23-22(28)18-14-17(25-20(26)8-9-21(25)27)6-7-19(18)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,28)
InChIKeyQKXCOBBZMYPLCG-UHFFFAOYSA-N
XLogP2.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide (CID 1080132) is 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide is Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2N2CCOCC2)cc1.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide?
The InChIKey is QKXCOBBZMYPLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-2-4-16(5-3-15)23-22(28)18-14-17(25-20(26)8-9-21(25)27)6-7-19(18)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,28).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide?
5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide has a molecular weight of 391.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 1080132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).