16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene

C16H25N3O3 — CID 70579624

IUPAC16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
SMILESC=CCOc1nc2nc(n1)OCCCCCCCCCCO2
InChIInChI=1S/C16H25N3O3/c1-2-11-20-14-17-15-19-16(18-14)22-13-10-8-6-4-3-5-7-9-12-21-15/h2H,1,3-13H2
InChIKeyMMRYTLDCVKLLTH-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.33
Rot. Bonds3

About 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene

16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene (PubChem CID 70579624) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene.

Molecular Properties

Compound Name16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
PubChem CID70579624
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
SMILESC=CCOc1nc2nc(n1)OCCCCCCCCCCO2
InChIInChI=1S/C16H25N3O3/c1-2-11-20-14-17-15-19-16(18-14)22-13-10-8-6-4-3-5-7-9-12-21-15/h2H,1,3-13H2
InChIKeyMMRYTLDCVKLLTH-UHFFFAOYSA-N
XLogP3.33
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Di(allyloxy)-2-(octadecyloxy)-1,3,5-triazine
CID 6455359
4,6-Diallyloxy-2-decyloxy-1,3,5-triazine
CID 16205645
2,4-Di(allyloxy)-6-(tetradecyloxy)-1,3,5-triazine
CID 16205995
2-Chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine
CID 10355128
2-Hexadecoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20284582
2-Dodecoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20284596
2-[10-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20512009
12-Prop-2-enoxy-2,9-dioxa-11,13,14-triazabicyclo[8.3.1]tetradeca-1(14),10,12-triene
CID 70493004
2-[8-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 140966787
Ethene;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 143659379
2-Decoxy-4-prop-2-enoxy-1,3,5-triazine
CID 175353487

Frequently Asked Questions

What is the IUPAC name of 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene?
The IUPAC name of 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene (CID 70579624) is 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene.
What is the SMILES notation for 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene?
The canonical SMILES for 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene is C=CCOc1nc2nc(n1)OCCCCCCCCCCO2.
What is the InChIKey of 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene?
The InChIKey is MMRYTLDCVKLLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-11-20-14-17-15-19-16(18-14)22-13-10-8-6-4-3-5-7-9-12-21-15/h2H,1,3-13H2.
What are the key properties of 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene?
16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene has a molecular weight of 307.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-prop-2-enoxy-2,13-dioxa-15,17,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene is sourced from PubChem (CID 70579624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).