N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C16H16N4O3 — CID 4789736

IUPACN-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C16H16N4O3/c1-16(11-6-7-11)14(22)20(15(23)19-16)9-13(21)18-12-5-3-2-4-10(12)8-17/h2-5,11H,6-7,9H2,1H3,(H,18,21)(H,19,23)
InChIKeyOCCZLGXJCJSJOY-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.22
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 4789736) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID4789736
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C16H16N4O3/c1-16(11-6-7-11)14(22)20(15(23)19-16)9-13(21)18-12-5-3-2-4-10(12)8-17/h2-5,11H,6-7,9H2,1H3,(H,18,21)(H,19,23)
InChIKeyOCCZLGXJCJSJOY-UHFFFAOYSA-N
XLogP1.22
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
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-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 4789736) is N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is OCCZLGXJCJSJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-16(11-6-7-11)14(22)20(15(23)19-16)9-13(21)18-12-5-3-2-4-10(12)8-17/h2-5,11H,6-7,9H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).