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

C14H23N3O4 — CID 120796324

IUPAC2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
SMILESCC(C)N1C(=O)CC(NC(=O)C(N)C2CCOCC2)C1=O
InChIInChI=1S/C14H23N3O4/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)
InChIKeyBMNXQGZKAHYABU-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.61
Rot. Bonds4

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

2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide (PubChem CID 120796324) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
PubChem CID120796324
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
SMILESCC(C)N1C(=O)CC(NC(=O)C(N)C2CCOCC2)C1=O
InChIInChI=1S/C14H23N3O4/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)
InChIKeyBMNXQGZKAHYABU-UHFFFAOYSA-N
XLogP-0.61
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.61
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;hydrochloride
CID 120796323
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 120669178
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-(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
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-2-(oxan-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120793480
3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 114240872
(2R)-N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-thiophen-3-ylpropanamide
CID 98343599
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011

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?
The IUPAC name of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide (CID 120796324) is 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide is CC(C)N1C(=O)CC(NC(=O)C(N)C2CCOCC2)C1=O.
What is the InChIKey of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is BMNXQGZKAHYABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/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).
What are the key properties of 2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide?
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 297.36 g/mol, XLogP of -0.61, 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 is sourced from PubChem (CID 120796324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).