N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

C18H22N4O3 — CID 2078188

IUPACN-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H22N4O3/c1-3-9-18(10-4-2)16(24)22(17(25)21-18)12-15(23)20-14-7-5-13(11-19)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyFQUFZEWVUDEWDF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.39
Rot. Bonds7

About N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (PubChem CID 2078188) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
PubChem CID2078188
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C18H22N4O3/c1-3-9-18(10-4-2)16(24)22(17(25)21-18)12-15(23)20-14-7-5-13(11-19)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyFQUFZEWVUDEWDF-UHFFFAOYSA-N
XLogP2.39
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
N-(4-acetamidophenyl)-2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40812694
N-(4-cyanophenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2084582
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 5036756
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629426
N-(4-cyanophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 112788599
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24565725
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18272609
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617508
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2436338

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (CID 2078188) is N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O.
What is the InChIKey of N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The InChIKey is FQUFZEWVUDEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-9-18(10-4-2)16(24)22(17(25)21-18)12-15(23)20-14-7-5-13(11-19)6-8-14/h5-8H,3-4,9-10,12H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2078188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).