N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide

C15H16N4O3 — CID 40803757

IUPACN-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C15H16N4O3/c1-2-5-12-14(21)19(15(22)18-12)9-13(20)17-11-7-4-3-6-10(11)8-16/h3-4,6-7,12H,2,5,9H2,1H3,(H,17,20)(H,18,22)/t12-/m1/s1
InChIKeyJKFFXOFVYZHUHI-GFCCVEGCSA-N
MW300.32 g/mol
LogP1.22
Rot. Bonds5

About N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide

N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide (PubChem CID 40803757) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide
PubChem CID40803757
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
InChIInChI=1S/C15H16N4O3/c1-2-5-12-14(21)19(15(22)18-12)9-13(20)17-11-7-4-3-6-10(11)8-16/h3-4,6-7,12H,2,5,9H2,1H3,(H,17,20)(H,18,22)/t12-/m1/s1
InChIKeyJKFFXOFVYZHUHI-GFCCVEGCSA-N
XLogP1.22
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
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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Related Compounds

2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 17465722
4-[[2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
CID 24608267
N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8760806
2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide
CID 41103574
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
3-[(4R)-4-butyl-2,5-dioxoimidazolidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 100728562
2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 17453847
N-(2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583832
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 18074733

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide (CID 40803757) is N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide is CCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide?
The InChIKey is JKFFXOFVYZHUHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-5-12-14(21)19(15(22)18-12)9-13(20)17-11-7-4-3-6-10(11)8-16/h3-4,6-7,12H,2,5,9H2,1H3,(H,17,20)(H,18,22)/t12-/m1/s1.
What are the key properties of N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide?
N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40803757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).