N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide

C13H13N3O5 — CID 110698561

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
SMILESO=C(CC1NC(=O)NC1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H13N3O5/c17-11(6-8-12(18)16-13(19)15-8)14-7-1-2-9-10(5-7)21-4-3-20-9/h1-2,5,8H,3-4,6H2,(H,14,17)(H2,15,16,18,19)
InChIKeyAXLVLZPWLWVMFQ-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.01
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide (PubChem CID 110698561) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
PubChem CID110698561
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
SMILESO=C(CC1NC(=O)NC1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H13N3O5/c17-11(6-8-12(18)16-13(19)15-8)14-7-1-2-9-10(5-7)21-4-3-20-9/h1-2,5,8H,3-4,6H2,(H,14,17)(H2,15,16,18,19)
InChIKeyAXLVLZPWLWVMFQ-UHFFFAOYSA-N
XLogP-0.01
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11883474
N-(1,3-benzodioxol-5-yl)-2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 729929
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11932194
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide
CID 6586939
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide
CID 43151261
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide (CID 110698561) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide is O=C(CC1NC(=O)NC1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide?
The InChIKey is AXLVLZPWLWVMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-11(6-8-12(18)16-13(19)15-8)14-7-1-2-9-10(5-7)21-4-3-20-9/h1-2,5,8H,3-4,6H2,(H,14,17)(H2,15,16,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide has a molecular weight of 291.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 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-(2,5-dioxoimidazolidin-4-yl)acetamide is sourced from PubChem (CID 110698561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).