[(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium

C21H33N4O4+ — CID 8008658

IUPAC[(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium
SMILESC[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)C2=O
InChIInChI=1S/C21H32N4O4/c1-14-9-20(2,3)13-21(10-14)18(27)25(19(28)23-21)12-17(26)22-11-15(24(4)5)16-7-6-8-29-16/h6-8,14-15H,9-13H2,1-5H3,(H,22,26)(H,23,28)/p+1/t14-,15-,21-/m0/s1
InChIKeyNNRSXFOCZRKHNK-GXZWQRSESA-O
MW405.52 g/mol
LogP0.72
Rot. Bonds6

About [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium

[(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium (PubChem CID 8008658) has the molecular formula C21H33N4O4+ and a molecular weight of 405.52 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium
PubChem CID8008658
Molecular FormulaC21H33N4O4+
Molecular Weight405.52 g/mol
Exact Mass405.25
IUPAC Name[(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium
SMILESC[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)C2=O
InChIInChI=1S/C21H32N4O4/c1-14-9-20(2,3)13-21(10-14)18(27)25(19(28)23-21)12-17(26)22-11-15(24(4)5)16-7-6-8-29-16/h6-8,14-15H,9-13H2,1-5H3,(H,22,26)(H,23,28)/p+1/t14-,15-,21-/m0/s1
InChIKeyNNRSXFOCZRKHNK-GXZWQRSESA-O
XLogP0.72
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium with MolForge

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Related Compounds

N-(2-phenylbutyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46448013
[(1S)-2-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2532591
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9108031
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9108039
N-[(2R)-2-(ethylamino)propyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 120651150
N-[(2-fluorophenyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24982653
N-(pyridin-4-ylmethyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40713787
N-(2-methyl-2-phenylpropyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55612692
N-(2-methylsulfanylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 102554226
[(1S)-2-[[2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2532602
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
N-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium (CID 8008658) is [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium is C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)C2=O.
What is the InChIKey of [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium?
The InChIKey is NNRSXFOCZRKHNK-GXZWQRSESA-O. The full InChI is InChI=1S/C21H32N4O4/c1-14-9-20(2,3)13-21(10-14)18(27)25(19(28)23-21)12-17(26)22-11-15(24(4)5)16-7-6-8-29-16/h6-8,14-15H,9-13H2,1-5H3,(H,22,26)(H,23,28)/p+1/t14-,15-,21-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium?
[(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium has a molecular weight of 405.52 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)-2-[[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8008658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).