N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide

C13H22N2O4 — CID 58242289

IUPACN-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC(CCO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C13H22N2O4/c1-4-11(17)14(3)8-10(5-6-16)15-12(18)7-9(2)13(15)19/h9-10,16H,4-8H2,1-3H3
InChIKeyMQBJSUZIGVRVPR-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.00
Rot. Bonds6

About N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide

N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide (PubChem CID 58242289) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide
PubChem CID58242289
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC(CCO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C13H22N2O4/c1-4-11(17)14(3)8-10(5-6-16)15-12(18)7-9(2)13(15)19/h9-10,16H,4-8H2,1-3H3
InChIKeyMQBJSUZIGVRVPR-UHFFFAOYSA-N
XLogP0.00
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide?
The IUPAC name of N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide (CID 58242289) is N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide?
The canonical SMILES for N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide is CCC(=O)N(C)CC(CCO)N1C(=O)CC(C)C1=O.
What is the InChIKey of N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide?
The InChIKey is MQBJSUZIGVRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-11(17)14(3)8-10(5-6-16)15-12(18)7-9(2)13(15)19/h9-10,16H,4-8H2,1-3H3.
What are the key properties of N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide?
N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide is sourced from PubChem (CID 58242289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).