N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

C21H19N3O6 — CID 2999122

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H19N3O6/c25-18(22-13-5-6-16-17(11-13)30-10-9-29-16)12-24-19(26)21(23-20(24)27)7-8-28-15-4-2-1-3-14(15)21/h1-6,11H,7-10,12H2,(H,22,25)(H,23,27)
InChIKeyVFCNDUAETZMIGN-UHFFFAOYSA-N
MW409.40 g/mol
LogP1.63
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 2999122) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID2999122
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H19N3O6/c25-18(22-13-5-6-16-17(11-13)30-10-9-29-16)12-24-19(26)21(23-20(24)27)7-8-28-15-4-2-1-3-14(15)21/h1-6,11H,7-10,12H2,(H,22,25)(H,23,27)
InChIKeyVFCNDUAETZMIGN-UHFFFAOYSA-N
XLogP1.63
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (CID 2999122) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is VFCNDUAETZMIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c25-18(22-13-5-6-16-17(11-13)30-10-9-29-16)12-24-19(26)21(23-20(24)27)7-8-28-15-4-2-1-3-14(15)21/h1-6,11H,7-10,12H2,(H,22,25)(H,23,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 409.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 2999122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).