N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

C11H16N4O3 — CID 43213591

IUPACN-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H16N4O3/c1-11(2)9(17)15(10(18)13-11)7-8(16)14(3)6-4-5-12/h4,6-7H2,1-3H3,(H,13,18)
InChIKeyARKCVXBEANOVLH-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.31
Rot. Bonds4

About N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (PubChem CID 43213591) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
PubChem CID43213591
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H16N4O3/c1-11(2)9(17)15(10(18)13-11)7-8(16)14(3)6-4-5-12/h4,6-7H2,1-3H3,(H,13,18)
InChIKeyARKCVXBEANOVLH-UHFFFAOYSA-N
XLogP-0.31
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.31
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (CID 43213591) is N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is CN(CCC#N)C(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is ARKCVXBEANOVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(2)9(17)15(10(18)13-11)7-8(16)14(3)6-4-5-12/h4,6-7H2,1-3H3,(H,13,18).
What are the key properties of N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 252.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43213591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).