N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C20H19N5O4 — CID 8626264

IUPACN-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H19N5O4/c1-2-12-24-18(27)19(28)25(20(24)29)13-17(26)21-14-8-10-16(11-9-14)23-22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,21,26)/b23-22+
InChIKeyJJORWHQOQLDWPR-GHVJWSGMSA-N
MW393.40 g/mol
LogP3.24
Rot. Bonds7

About N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 8626264) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID8626264
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC NameN-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H19N5O4/c1-2-12-24-18(27)19(28)25(20(24)29)13-17(26)21-14-8-10-16(11-9-14)23-22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,21,26)/b23-22+
InChIKeyJJORWHQOQLDWPR-GHVJWSGMSA-N
XLogP3.24
TPSA111.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide
CID 8626617
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-phenyldiazenylphenyl)acetamide
CID 7952694
N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide
CID 8626634
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2498787
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7819948
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2498407
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
N-[(2-fluorophenyl)carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626817

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 8626264) is N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1=O.
What is the InChIKey of N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is JJORWHQOQLDWPR-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-2-12-24-18(27)19(28)25(20(24)29)13-17(26)21-14-8-10-16(11-9-14)23-22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,21,26)/b23-22+.
What are the key properties of N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8626264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).