9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione

C18H31N3O3 — CID 158379829

IUPAC9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione
SMILES[2H]C([2H])([2H])N1CC(=O)OC2(CCCCCCCCCC(=O)/N=C/1N)CCC2
InChIInChI=1S/C18H31N3O3/c1-21-14-16(23)24-18(12-9-13-18)11-8-6-4-2-3-5-7-10-15(22)20-17(21)19/h2-14H2,1H3,(H2,19,20,22)/i1D3
InChIKeyWFIMWUMXWIFSOM-FIBGUPNXSA-N
MW340.48 g/mol
LogP2.75
Rot. Bonds1

About 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione

9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione (PubChem CID 158379829) has the molecular formula C18H31N3O3 and a molecular weight of 340.48 g/mol. Its IUPAC name is 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione.

Molecular Properties

Compound Name9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione
PubChem CID158379829
Molecular FormulaC18H31N3O3
Molecular Weight340.48 g/mol
Exact Mass340.26
IUPAC Name9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione
SMILES[2H]C([2H])([2H])N1CC(=O)OC2(CCCCCCCCCC(=O)/N=C/1N)CCC2
InChIInChI=1S/C18H31N3O3/c1-21-14-16(23)24-18(12-9-13-18)11-8-6-4-2-3-5-7-10-15(22)20-17(21)19/h2-14H2,1H3,(H2,19,20,22)/i1D3
InChIKeyWFIMWUMXWIFSOM-FIBGUPNXSA-N
XLogP2.75
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione
CID 155460980
10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 155759890
5-imino-16,16-dimethyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadecane-2,7-dione
CID 155163387
10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 147085463
5-imino-15-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclopentadecane-2,7-dione
CID 155163343
5-imino-18-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclooctadecane-2,7-dione
CID 155759984
1-oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
17-ethyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacycloheptadecane-2,7-dione
CID 155760101
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
5-imino-15-propyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclopentadecane-2,7-dione
CID 155163409
16,16-dimethyl-1-oxacyclohexadec-12-en-2-one
CID 78023283
3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 167118563

Frequently Asked Questions

What is the IUPAC name of 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione?
The IUPAC name of 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione (CID 158379829) is 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione.
What is the SMILES notation for 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione?
The canonical SMILES for 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione is [2H]C([2H])([2H])N1CC(=O)OC2(CCCCCCCCCC(=O)/N=C/1N)CCC2.
What is the InChIKey of 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione?
The InChIKey is WFIMWUMXWIFSOM-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-21-14-16(23)24-18(12-9-13-18)11-8-6-4-2-3-5-7-10-15(22)20-17(21)19/h2-14H2,1H3,(H2,19,20,22)/i1D3.
What are the key properties of 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione?
9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione has a molecular weight of 340.48 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione is sourced from PubChem (CID 158379829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).