N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H24N4O6 — CID 11948728

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2=O
InChIInChI=1S/C20H24N4O6/c1-12-4-2-3-7-20(12)17(26)24(19(28)23-20)11-16(25)22-18(27)21-13-5-6-14-15(10-13)30-9-8-29-14/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,23,28)(H2,21,22,25,27)
InChIKeyLFNVAVJHMCQXIY-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.61
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 11948728) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID11948728
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2=O
InChIInChI=1S/C20H24N4O6/c1-12-4-2-3-7-20(12)17(26)24(19(28)23-20)11-16(25)22-18(27)21-13-5-6-14-15(10-13)30-9-8-29-14/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,23,28)(H2,21,22,25,27)
InChIKeyLFNVAVJHMCQXIY-UHFFFAOYSA-N
XLogP1.61
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.61
H-Bond Donors ≤ 53
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-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 11948728) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCCCC12NC(=O)N(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is LFNVAVJHMCQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-12-4-2-3-7-20(12)17(26)24(19(28)23-20)11-16(25)22-18(27)21-13-5-6-14-15(10-13)30-9-8-29-14/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,23,28)(H2,21,22,25,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 416.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 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-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 11948728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).