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

C22H28N4O6 — CID 39952199

IUPACN-[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
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C22H28N4O6/c1-2-25(14-18(27)23-15-5-6-16-17(13-15)32-12-11-31-16)19(28)7-10-26-20(29)22(24-21(26)30)8-3-4-9-22/h5-6,13H,2-4,7-12,14H2,1H3,(H,23,27)(H,24,30)
InChIKeyCJRFUPIFVRPNAM-UHFFFAOYSA-N
MW444.49 g/mol
LogP1.50
Rot. Bonds7

About 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

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 (PubChem CID 39952199) has the molecular formula C22H28N4O6 and a molecular weight of 444.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID39952199
Molecular FormulaC22H28N4O6
Molecular Weight444.49 g/mol
Exact Mass444.20
IUPAC NameN-[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
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C22H28N4O6/c1-2-25(14-18(27)23-15-5-6-16-17(13-15)32-12-11-31-16)19(28)7-10-26-20(29)22(24-21(26)30)8-3-4-9-22/h5-6,13H,2-4,7-12,14H2,1H3,(H,23,27)(H,24,30)
InChIKeyCJRFUPIFVRPNAM-UHFFFAOYSA-N
XLogP1.50
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 51.50
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-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 43008615
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
1-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119682005
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40841009
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbut-2-enamide
CID 43053110
3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpropanamide
CID 25161961
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 46646435
3-(2-aminophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpropanamide;hydrochloride
CID 120608076
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(1H-indol-3-yl)propanamide
CID 27833488
2-(cyclopropylmethylamino)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide;hydrochloride
CID 119682035
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 51571315
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
CID 17446914

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 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?
The InChIKey is CJRFUPIFVRPNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O6/c1-2-25(14-18(27)23-15-5-6-16-17(13-15)32-12-11-31-16)19(28)7-10-26-20(29)22(24-21(26)30)8-3-4-9-22/h5-6,13H,2-4,7-12,14H2,1H3,(H,23,27)(H,24,30).
What are the key properties of 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?
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 has a molecular weight of 444.49 g/mol, XLogP of 1.50, 7 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]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 39952199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).