N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide

C10H14N4O3 — CID 43289097

IUPACN-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN1C(=O)CNC1=O
InChIInChI=1S/C10H14N4O3/c1-13(5-2-4-11)8(15)3-6-14-9(16)7-12-10(14)17/h2-3,5-7H2,1H3,(H,12,17)
InChIKeyZAHIQOHHQVKGRY-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.70
Rot. Bonds5

About N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide

N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide (PubChem CID 43289097) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
PubChem CID43289097
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN1C(=O)CNC1=O
InChIInChI=1S/C10H14N4O3/c1-13(5-2-4-11)8(15)3-6-14-9(16)7-12-10(14)17/h2-3,5-7H2,1H3,(H,12,17)
InChIKeyZAHIQOHHQVKGRY-UHFFFAOYSA-N
XLogP-0.70
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-Ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
CID 46737744
Hydantoin, 3-(3-(dimethylamino)propyl)-, hydrochloride
CID 3070463
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
CID 597160
3-Propyl-2,4-imidazolidinedione
CID 13258387
3-[2,2-Dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile
CID 56787440
N-(1-cyanobutyl)-2-oxoimidazolidine-4-carboxamide
CID 71877664
3-[3-(Dimethylamino)propyl]imidazolidine-2,4-dione
CID 3070464
N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide
CID 11127606
3-[3-(Ethylamino)propyl]imidazolidine-2,4-dione
CID 18340122
3-[3-(2-Cyanoethyl)-2,4-dioxoimidazolidin-1-yl]propanenitrile
CID 21330988
3-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile
CID 21404292
1-(2-Aminoethyl)-5-[(dimethylamino)methyl]-5-methylimidazolidine-2,4-dione
CID 60204242

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide (CID 43289097) is N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide is CN(CCC#N)C(=O)CCN1C(=O)CNC1=O.
What is the InChIKey of N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide?
The InChIKey is ZAHIQOHHQVKGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-13(5-2-4-11)8(15)3-6-14-9(16)7-12-10(14)17/h2-3,5-7H2,1H3,(H,12,17).
What are the key properties of N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide has a molecular weight of 238.25 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 43289097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).