N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C18H23N3O4 — CID 654030

IUPACN-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1
InChIInChI=1S/C18H23N3O4/c1-11-9-20(10-12(2)25-11)16-8-17(23)21(18(16)24)15-6-4-14(5-7-15)19-13(3)22/h4-7,11-12,16H,8-10H2,1-3H3,(H,19,22)
InChIKeyKKTGZRNDWLAPHX-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.39
Rot. Bonds3

About N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 654030) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID654030
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1
InChIInChI=1S/C18H23N3O4/c1-11-9-20(10-12(2)25-11)16-8-17(23)21(18(16)24)15-6-4-14(5-7-15)19-13(3)22/h4-7,11-12,16H,8-10H2,1-3H3,(H,19,22)
InChIKeyKKTGZRNDWLAPHX-UHFFFAOYSA-N
XLogP1.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 654030) is N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1.
What is the InChIKey of N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is KKTGZRNDWLAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-9-20(10-12(2)25-11)16-8-17(23)21(18(16)24)15-6-4-14(5-7-15)19-13(3)22/h4-7,11-12,16H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,6-dimethylmorpholin-4-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 654030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).