N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide

C25H26N4O6 — CID 46554956

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C25H26N4O6/c1-2-28(14-21(30)26-17-7-8-19-20(13-17)35-12-11-34-19)22(31)15-29-23(32)25(27-24(29)33)10-9-16-5-3-4-6-18(16)25/h3-8,13H,2,9-12,14-15H2,1H3,(H,26,30)(H,27,33)
InChIKeyFGNXZPFNVJZBOE-UHFFFAOYSA-N
MW478.51 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide (PubChem CID 46554956) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide
PubChem CID46554956
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C25H26N4O6/c1-2-28(14-21(30)26-17-7-8-19-20(13-17)35-12-11-34-19)22(31)15-29-23(32)25(27-24(29)33)10-9-16-5-3-4-6-18(16)25/h3-8,13H,2,9-12,14-15H2,1H3,(H,26,30)(H,27,33)
InChIKeyFGNXZPFNVJZBOE-UHFFFAOYSA-N
XLogP1.64
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-ethylacetamide
CID 41094805
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylpropanamide
CID 39952199
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 41189006
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dipropylacetamide
CID 51162050
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-ethylacetamide
CID 26003409
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 17429506
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 167916257
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-ethylphenyl)acetamide
CID 16546281
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 46452061
N-(3,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680838
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-fluorophenyl)acetamide
CID 24979383

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide (CID 46554956) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide?
The InChIKey is FGNXZPFNVJZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6/c1-2-28(14-21(30)26-17-7-8-19-20(13-17)35-12-11-34-19)22(31)15-29-23(32)25(27-24(29)33)10-9-16-5-3-4-6-18(16)25/h3-8,13H,2,9-12,14-15H2,1H3,(H,26,30)(H,27,33).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide has a molecular weight of 478.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide is sourced from PubChem (CID 46554956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).