N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C18H18N4O4 — CID 8954797

IUPACN-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESN#CCc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H18N4O4/c19-10-9-12-5-7-13(8-6-12)20-15(23)11-21-16(24)17(25)22(18(21)26)14-3-1-2-4-14/h5-8,14H,1-4,9,11H2,(H,20,23)
InChIKeyKXPKSUUPXDCWHY-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.42
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 8954797) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID8954797
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESN#CCc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H18N4O4/c19-10-9-12-5-7-13(8-6-12)20-15(23)11-21-16(24)17(25)22(18(21)26)14-3-1-2-4-14/h5-8,14H,1-4,9,11H2,(H,20,23)
InChIKeyKXPKSUUPXDCWHY-UHFFFAOYSA-N
XLogP1.42
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 34602255
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534741
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 4880290
N-(1,3-benzodioxol-5-yl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660752
N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide
CID 167952489
N-[4-(cyanomethyl)phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 84965874
N-(5-chloro-2-cyanophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660736
N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 46696889
N-(4-acetamidophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800665
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
N-[4-(cyanomethyl)phenyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410718

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 8954797) is N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is N#CCc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is KXPKSUUPXDCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c19-10-9-12-5-7-13(8-6-12)20-15(23)11-21-16(24)17(25)22(18(21)26)14-3-1-2-4-14/h5-8,14H,1-4,9,11H2,(H,20,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 354.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8954797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).