N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide

C12H19N3O5 — CID 20693319

IUPACN'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide
SMILESCNC(=O)C(CC(=O)NCCO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C12H19N3O5/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16/h7-8,16H,3-6H2,1-2H3,(H,13,19)(H,14,17)
InChIKeyGUPUPFWLZRAHLC-UHFFFAOYSA-N
MW285.30 g/mol
LogP-2.01
Rot. Bonds6

About N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide

N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide (PubChem CID 20693319) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide
PubChem CID20693319
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide
SMILESCNC(=O)C(CC(=O)NCCO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C12H19N3O5/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16/h7-8,16H,3-6H2,1-2H3,(H,13,19)(H,14,17)
InChIKeyGUPUPFWLZRAHLC-UHFFFAOYSA-N
XLogP-2.01
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
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 N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide?
The IUPAC name of N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide (CID 20693319) is N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide.
What is the SMILES notation for N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide?
The canonical SMILES for N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide is CNC(=O)C(CC(=O)NCCO)N1C(=O)CC(C)C1=O.
What is the InChIKey of N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide?
The InChIKey is GUPUPFWLZRAHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16/h7-8,16H,3-6H2,1-2H3,(H,13,19)(H,14,17).
What are the key properties of N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide?
N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide has a molecular weight of 285.30 g/mol, XLogP of -2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide is sourced from PubChem (CID 20693319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).