10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione

C19H33N3O3 — CID 155759890

IUPAC10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
SMILES[H]/N=C1/NC(=O)CCCCCCCCCC2(CCCC2)OC(=O)CN1C
InChIInChI=1S/C19H33N3O3/c1-22-15-17(24)25-19(13-9-10-14-19)12-8-6-4-2-3-5-7-11-16(23)21-18(22)20/h2-15H2,1H3,(H2,20,21,23)
InChIKeyBFXMFSRPKQPBBA-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.35
Rot. Bonds

About 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione

10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione (PubChem CID 155759890) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione.

Molecular Properties

Compound Name10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
PubChem CID155759890
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
SMILES[H]/N=C1/NC(=O)CCCCCCCCCC2(CCCC2)OC(=O)CN1C
InChIInChI=1S/C19H33N3O3/c1-22-15-17(24)25-19(13-9-10-14-19)12-8-6-4-2-3-5-7-11-16(23)21-18(22)20/h2-15H2,1H3,(H2,20,21,23)
InChIKeyBFXMFSRPKQPBBA-UHFFFAOYSA-N
XLogP3.35
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 147085463
5-imino-4-methyl-1-oxa-4,6-diazacyclotridecane-2,7-dione
CID 142602224
5-imino-16,16-dimethyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadecane-2,7-dione
CID 155163387
(17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride
CID 155163465
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
17-ethyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacycloheptadecane-2,7-dione
CID 155760101
5-imino-15-propyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclopentadecane-2,7-dione
CID 155163409
8-amino-7-methyl-4-oxa-7,9-diazaspiro[2.16]nonadec-8-ene-5,10-dione
CID 155460980
bis(17-ethyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacycloheptadecane-2,7-dione);bis(18-ethyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclooctadecane-2,7-dione);5-imino-17-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacycloheptadecane-2,7-dione;bis(5-imino-18-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclooctadecane-2,7-dione)
CID 165036993
9-amino-8-(trideuteriomethyl)-5-oxa-8,10-diazaspiro[3.16]icos-9-ene-6,11-dione
CID 158379829
2-imino-1-methylimidazolidin-4-one;2-methylguanidine
CID 174723899

Frequently Asked Questions

What is the IUPAC name of 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
The IUPAC name of 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione (CID 155759890) is 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione.
What is the SMILES notation for 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
The canonical SMILES for 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione is [H]/N=C1/NC(=O)CCCCCCCCCC2(CCCC2)OC(=O)CN1C.
What is the InChIKey of 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
The InChIKey is BFXMFSRPKQPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-22-15-17(24)25-19(13-9-10-14-19)12-8-6-4-2-3-5-7-11-16(23)21-18(22)20/h2-15H2,1H3,(H2,20,21,23).
What are the key properties of 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione has a molecular weight of 351.49 g/mol, XLogP of 3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione is sourced from PubChem (CID 155759890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).