N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide

C20H20N2O4 — CID 4913572

IUPACN-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide
SMILESO=C(CC1COC(=O)C(=O)N1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(21-12-15-7-3-1-4-8-15)11-17-14-26-20(25)19(24)22(17)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,23)
InChIKeyHOYPDCLOIQOHAX-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.65
Rot. Bonds6

About N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide

N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide (PubChem CID 4913572) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide
PubChem CID4913572
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide
SMILESO=C(CC1COC(=O)C(=O)N1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18(21-12-15-7-3-1-4-8-15)11-17-14-26-20(25)19(24)22(17)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,23)
InChIKeyHOYPDCLOIQOHAX-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide (CID 4913572) is N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide is O=C(CC1COC(=O)C(=O)N1Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide?
The InChIKey is HOYPDCLOIQOHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-12-15-7-3-1-4-8-15)11-17-14-26-20(25)19(24)22(17)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,23).
What are the key properties of N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide?
N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide is sourced from PubChem (CID 4913572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).