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

C12H19N3O5 — CID 20695619

IUPACN'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide
SMILESCC(CC(=O)NCCO)C(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C12H19N3O5/c1-7(5-9(17)13-3-4-16)11(19)14-8-6-10(18)15(2)12(8)20/h7-8,16H,3-6H2,1-2H3,(H,13,17)(H,14,19)
InChIKeyNEPSEHIQHQKTQA-UHFFFAOYSA-N
MW285.30 g/mol
LogP-2.01
Rot. Bonds6

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

N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide (PubChem CID 20695619) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide
PubChem CID20695619
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide
SMILESCC(CC(=O)NCCO)C(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C12H19N3O5/c1-7(5-9(17)13-3-4-16)11(19)14-8-6-10(18)15(2)12(8)20/h7-8,16H,3-6H2,1-2H3,(H,13,17)(H,14,19)
InChIKeyNEPSEHIQHQKTQA-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)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide?
The IUPAC name of N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide (CID 20695619) is N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide.
What is the SMILES notation for N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide?
The canonical SMILES for N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide is CC(CC(=O)NCCO)C(=O)NC1CC(=O)N(C)C1=O.
What is the InChIKey of N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide?
The InChIKey is NEPSEHIQHQKTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-7(5-9(17)13-3-4-16)11(19)14-8-6-10(18)15(2)12(8)20/h7-8,16H,3-6H2,1-2H3,(H,13,17)(H,14,19).
What are the key properties of N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide?
N'-(2-hydroxyethyl)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-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)-2-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanediamide is sourced from PubChem (CID 20695619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).