N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide

C17H23N3O4 — CID 75119478

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
SMILESCCCC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C17H23N3O4/c1-2-3-12-9-17(22)20(11-18-12)10-16(21)19-13-4-5-14-15(8-13)24-7-6-23-14/h4-5,8,12,18H,2-3,6-7,9-11H2,1H3,(H,19,21)
InChIKeyDMWXLZRKMOUMIC-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.34
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide (PubChem CID 75119478) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
PubChem CID75119478
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
SMILESCCCC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C17H23N3O4/c1-2-3-12-9-17(22)20(11-18-12)10-16(21)19-13-4-5-14-15(8-13)24-7-6-23-14/h4-5,8,12,18H,2-3,6-7,9-11H2,1H3,(H,19,21)
InChIKeyDMWXLZRKMOUMIC-UHFFFAOYSA-N
XLogP1.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2498407
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2597901
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113201580
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 8701924
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 18165431
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916930
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352677

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide (CID 75119478) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide is CCCC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)CN1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
The InChIKey is DMWXLZRKMOUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-3-12-9-17(22)20(11-18-12)10-16(21)19-13-4-5-14-15(8-13)24-7-6-23-14/h4-5,8,12,18H,2-3,6-7,9-11H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.34, 5 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-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 75119478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).