2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide

C15H16N4O5 — CID 4876845

IUPAC2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C15H16N4O5/c1-16-13(22)17-11(20)8-19-12(21)15(18-14(19)23)6-7-24-10-5-3-2-4-9(10)15/h2-5H,6-8H2,1H3,(H,18,23)(H2,16,17,20,22)
InChIKeyVUUFPQDIDGERFA-UHFFFAOYSA-N
MW332.32 g/mol
LogP-0.33
Rot. Bonds2

About 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide (PubChem CID 4876845) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide
PubChem CID4876845
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C15H16N4O5/c1-16-13(22)17-11(20)8-19-12(21)15(18-14(19)23)6-7-24-10-5-3-2-4-9(10)15/h2-5H,6-8H2,1H3,(H,18,23)(H2,16,17,20,22)
InChIKeyVUUFPQDIDGERFA-UHFFFAOYSA-N
XLogP-0.33
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide (CID 4876845) is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide?
The InChIKey is VUUFPQDIDGERFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-16-13(22)17-11(20)8-19-12(21)15(18-14(19)23)6-7-24-10-5-3-2-4-9(10)15/h2-5H,6-8H2,1H3,(H,18,23)(H2,16,17,20,22).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide?
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide has a molecular weight of 332.32 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 4876845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).