2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride

C14H24ClN3O4 — CID 120796323

IUPAC2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)N1C(=O)CC(NC(=O)C(N)C2CCOCC2)C1=O.Cl
InChIInChI=1S/C14H23N3O4.ClH/c1-8(2)17-11(18)7-10(14(17)20)16-13(19)12(15)9-3-5-21-6-4-9;/h8-10,12H,3-7,15H2,1-2H3,(H,16,19);1H
InChIKeyAIFNHJUZSQESPX-UHFFFAOYSA-N
MW333.82 g/mol
LogP-0.19
Rot. Bonds4

About 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120796323) has the molecular formula C14H24ClN3O4 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120796323
Molecular FormulaC14H24ClN3O4
Molecular Weight333.82 g/mol
Exact Mass333.15
IUPAC Name2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)N1C(=O)CC(NC(=O)C(N)C2CCOCC2)C1=O.Cl
InChIInChI=1S/C14H23N3O4.ClH/c1-8(2)17-11(18)7-10(14(17)20)16-13(19)12(15)9-3-5-21-6-4-9;/h8-10,12H,3-7,15H2,1-2H3,(H,16,19);1H
InChIKeyAIFNHJUZSQESPX-UHFFFAOYSA-N
XLogP-0.19
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120796324
2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
CID 120795689
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119343946
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 120669178
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495709
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120795162
1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 71852782
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795893
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841
2-amino-N-(3-methylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783425

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120796323) is 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride is CC(C)N1C(=O)CC(NC(=O)C(N)C2CCOCC2)C1=O.Cl.
What is the InChIKey of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is AIFNHJUZSQESPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4.ClH/c1-8(2)17-11(18)7-10(14(17)20)16-13(19)12(15)9-3-5-21-6-4-9;/h8-10,12H,3-7,15H2,1-2H3,(H,16,19);1H.
What are the key properties of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 333.82 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120796323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).