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

C16H31N5O6 — CID 161023545

IUPACN'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide
SMILESCN.CNC(=O)C(CC(=O)NCCO)N1C(=O)CC(C)C1=O.CNC(C)=O
InChIInChI=1S/C12H19N3O5.C3H7NO.CH5N/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16;1-3(5)4-2;1-2/h7-8,16H,3-6H2,1-2H3,(H,13,19)(H,14,17);1-2H3,(H,4,5);2H2,1H3
InChIKeyTYROWELZZREJON-UHFFFAOYSA-N
MW389.45 g/mol
LogP-2.68
Rot. Bonds6

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

N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide (PubChem CID 161023545) has the molecular formula C16H31N5O6 and a molecular weight of 389.45 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide
PubChem CID161023545
Molecular FormulaC16H31N5O6
Molecular Weight389.45 g/mol
Exact Mass389.23
IUPAC NameN'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide
SMILESCN.CNC(=O)C(CC(=O)NCCO)N1C(=O)CC(C)C1=O.CNC(C)=O
InChIInChI=1S/C12H19N3O5.C3H7NO.CH5N/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16;1-3(5)4-2;1-2/h7-8,16H,3-6H2,1-2H3,(H,13,19)(H,14,17);1-2H3,(H,4,5);2H2,1H3
InChIKeyTYROWELZZREJON-UHFFFAOYSA-N
XLogP-2.68
TPSA170.93 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 5-2.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide?
The IUPAC name of N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide (CID 161023545) is N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide.
What is the SMILES notation for N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide?
The canonical SMILES for N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide is CN.CNC(=O)C(CC(=O)NCCO)N1C(=O)CC(C)C1=O.CNC(C)=O.
What is the InChIKey of N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide?
The InChIKey is TYROWELZZREJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5.C3H7NO.CH5N/c1-7-5-10(18)15(12(7)20)8(11(19)13-2)6-9(17)14-3-4-16;1-3(5)4-2;1-2/h7-8,16H,3-6H2,1-2H3,(H,13,19)(H,14,17);1-2H3,(H,4,5);2H2,1H3.
What are the key properties of N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide?
N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide has a molecular weight of 389.45 g/mol, XLogP of -2.68, 6 rotatable bonds, 5 hydrogen bond donors, and 7 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;methanamine;N-methylacetamide is sourced from PubChem (CID 161023545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).