N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C16H18N4O3 — CID 46583189

IUPACN-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)NCCC#N)C1=O
InChIInChI=1S/C16H18N4O3/c1-2-16(12-7-4-3-5-8-12)14(22)20(15(23)19-16)11-13(21)18-10-6-9-17/h3-5,7-8H,2,6,10-11H2,1H3,(H,18,21)(H,19,23)
InChIKeyOLZMVZDZVHJTPF-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.87
Rot. Bonds6

About N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 46583189) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID46583189
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)NCCC#N)C1=O
InChIInChI=1S/C16H18N4O3/c1-2-16(12-7-4-3-5-8-12)14(22)20(15(23)19-16)11-13(21)18-10-6-9-17/h3-5,7-8H,2,6,10-11H2,1H3,(H,18,21)(H,19,23)
InChIKeyOLZMVZDZVHJTPF-UHFFFAOYSA-N
XLogP0.87
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7487201
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439994
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 41153699
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000677

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 46583189) is N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)NCCC#N)C1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is OLZMVZDZVHJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-16(12-7-4-3-5-8-12)14(22)20(15(23)19-16)11-13(21)18-10-6-9-17/h3-5,7-8H,2,6,10-11H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 314.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 46583189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).