N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide

C12H18N4O3 — CID 43289129

IUPACN-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCC1NC(=O)N(CC(=O)N(C)CCC#N)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-5-9-11(18)16(12(19)14-9)8-10(17)15(2)7-4-6-13/h9H,3-5,7-8H2,1-2H3,(H,14,19)
InChIKeyRQPAZXPHBATRSY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.08
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide (PubChem CID 43289129) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide
PubChem CID43289129
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCC1NC(=O)N(CC(=O)N(C)CCC#N)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-5-9-11(18)16(12(19)14-9)8-10(17)15(2)7-4-6-13/h9H,3-5,7-8H2,1-2H3,(H,14,19)
InChIKeyRQPAZXPHBATRSY-UHFFFAOYSA-N
XLogP0.08
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide (CID 43289129) is N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide is CCCC1NC(=O)N(CC(=O)N(C)CCC#N)C1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is RQPAZXPHBATRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-5-9-11(18)16(12(19)14-9)8-10(17)15(2)7-4-6-13/h9H,3-5,7-8H2,1-2H3,(H,14,19).
What are the key properties of N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 266.30 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43289129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).