N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H23N3O5 — CID 3967961

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O
InChIInChI=1S/C19H23N3O5/c1-12-4-6-19(7-5-12)17(24)22(18(25)21-19)11-16(23)20-13-2-3-14-15(10-13)27-9-8-26-14/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyRHTZPVSOWAPGDO-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.90
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 3967961) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID3967961
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O
InChIInChI=1S/C19H23N3O5/c1-12-4-6-19(7-5-12)17(24)22(18(25)21-19)11-16(23)20-13-2-3-14-15(10-13)27-9-8-26-14/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyRHTZPVSOWAPGDO-UHFFFAOYSA-N
XLogP1.90
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-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-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 3967961) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-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-yl)-2-(8-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-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is RHTZPVSOWAPGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-4-6-19(7-5-12)17(24)22(18(25)21-19)11-16(23)20-13-2-3-14-15(10-13)27-9-8-26-14/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 3967961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).