2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide

C20H27N3O4 — CID 98398259

IUPAC2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)[C@@H]1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C20H27N3O4/c1-13-5-4-6-16(14(13)2)21-18(24)12-22(9-10-27-3)17-11-19(25)23(20(17)26)15-7-8-15/h4-6,15,17H,7-12H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyZPJUGOWDYFVCNG-QGZVFWFLSA-N
MW373.45 g/mol
LogP1.48
Rot. Bonds8

About 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 98398259) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID98398259
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)[C@@H]1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C20H27N3O4/c1-13-5-4-6-16(14(13)2)21-18(24)12-22(9-10-27-3)17-11-19(25)23(20(17)26)15-7-8-15/h4-6,15,17H,7-12H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyZPJUGOWDYFVCNG-QGZVFWFLSA-N
XLogP1.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.48
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 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 98398259) is 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide is COCCN(CC(=O)Nc1cccc(C)c1C)[C@@H]1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is ZPJUGOWDYFVCNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13-5-4-6-16(14(13)2)21-18(24)12-22(9-10-27-3)17-11-19(25)23(20(17)26)15-7-8-15/h4-6,15,17H,7-12H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 373.45 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 98398259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).