10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione

C18H31N3O4 — CID 147085463

IUPAC10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
SMILES[H]/N=C1/NC(=O)CCCCCCCCCC2(CCOC2)OC(=O)CN1C
InChIInChI=1S/C18H31N3O4/c1-21-13-16(23)25-18(11-12-24-14-18)10-8-6-4-2-3-5-7-9-15(22)20-17(21)19/h2-14H2,1H3,(H2,19,20,22)
InChIKeyBHTDJUVSDBFFHO-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.20
Rot. Bonds

About 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione

10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione (PubChem CID 147085463) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione.

Molecular Properties

Compound Name10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
PubChem CID147085463
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
SMILES[H]/N=C1/NC(=O)CCCCCCCCCC2(CCOC2)OC(=O)CN1C
InChIInChI=1S/C18H31N3O4/c1-21-13-16(23)25-18(11-12-24-14-18)10-8-6-4-2-3-5-7-9-15(22)20-17(21)19/h2-14H2,1H3,(H2,19,20,22)
InChIKeyBHTDJUVSDBFFHO-UHFFFAOYSA-N
XLogP2.20
TPSA91.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
The IUPAC name of 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione (CID 147085463) is 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione.
What is the SMILES notation for 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
The canonical SMILES for 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione is [H]/N=C1/NC(=O)CCCCCCCCCC2(CCOC2)OC(=O)CN1C.
What is the InChIKey of 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
The InChIKey is BHTDJUVSDBFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-21-13-16(23)25-18(11-12-24-14-18)10-8-6-4-2-3-5-7-9-15(22)20-17(21)19/h2-14H2,1H3,(H2,19,20,22).
What are the key properties of 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione?
10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione has a molecular weight of 353.46 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione is sourced from PubChem (CID 147085463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).