N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide

C15H19N3O3 — CID 60934341

IUPACN-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CC(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C15H19N3O3/c1-4-16-14(20)10-5-6-11(9(2)7-10)17-12-8-13(19)18(3)15(12)21/h5-7,12,17H,4,8H2,1-3H3,(H,16,20)
InChIKeyCQJQQVICZREPRA-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.91
Rot. Bonds4

About N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide

N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide (PubChem CID 60934341) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide
PubChem CID60934341
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CC(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C15H19N3O3/c1-4-16-14(20)10-5-6-11(9(2)7-10)17-12-8-13(19)18(3)15(12)21/h5-7,12,17H,4,8H2,1-3H3,(H,16,20)
InChIKeyCQJQQVICZREPRA-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide?
The IUPAC name of N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide (CID 60934341) is N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide is CCNC(=O)c1ccc(NC2CC(=O)N(C)C2=O)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide?
The InChIKey is CQJQQVICZREPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-16-14(20)10-5-6-11(9(2)7-10)17-12-8-13(19)18(3)15(12)21/h5-7,12,17H,4,8H2,1-3H3,(H,16,20).
What are the key properties of N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide?
N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide has a molecular weight of 289.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 60934341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).