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

C18H25N3O3 — CID 46596271

IUPAC2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(C)CO1
InChIInChI=1S/C18H25N3O3/c1-13-12-24-14(2)10-20(13)11-17(22)19-15-5-3-6-16(9-15)21-8-4-7-18(21)23/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyKIYNJLVFKZTHLI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.86
Rot. Bonds4

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

2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 46596271) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID46596271
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(C)CO1
InChIInChI=1S/C18H25N3O3/c1-13-12-24-14(2)10-20(13)11-17(22)19-15-5-3-6-16(9-15)21-8-4-7-18(21)23/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyKIYNJLVFKZTHLI-UHFFFAOYSA-N
XLogP1.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 46596271) is 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CC1CN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is KIYNJLVFKZTHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-12-24-14(2)10-20(13)11-17(22)19-15-5-3-6-16(9-15)21-8-4-7-18(21)23/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 46596271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).