N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C21H21N3O5 — CID 18136815

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H21N3O5/c1-13(14-6-7-17-18(10-14)29-9-8-28-17)23-20(26)16-5-3-2-4-15(16)12-24-19(25)11-22-21(24)27/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,27)(H,23,26)
InChIKeyYRSLQQFNNHICNR-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 18136815) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID18136815
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H21N3O5/c1-13(14-6-7-17-18(10-14)29-9-8-28-17)23-20(26)16-5-3-2-4-15(16)12-24-19(25)11-22-21(24)27/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,27)(H,23,26)
InChIKeyYRSLQQFNNHICNR-UHFFFAOYSA-N
XLogP2.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18137199
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluorobenzamide
CID 4653721
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134025205
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-9-oxofluorene-2-carboxamide
CID 16613066
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 55501486
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55738993
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]sulfanylbenzoic acid
CID 17494037

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 18136815) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is CC(NC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is YRSLQQFNNHICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13(14-6-7-17-18(10-14)29-9-8-28-17)23-20(26)16-5-3-2-4-15(16)12-24-19(25)11-22-21(24)27/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 395.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 18136815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).