2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one

C25H39N3O3 — CID 126746108

IUPAC2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC1(CC(C)(C)N(Oc3ccccc3)C(C)(C)C1)NC2=O
InChIInChI=1S/C25H39N3O3/c1-20(2)14-24(15-21(3,4)27-20)19(29)26-25(31-24)16-22(5,6)28(23(7,8)17-25)30-18-12-10-9-11-13-18/h9-13,27H,14-17H2,1-8H3,(H,26,29)
InChIKeyTUFQTZALTVWTCP-UHFFFAOYSA-N
MW429.61 g/mol
LogP4.16
Rot. Bonds2

About 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one

2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one (PubChem CID 126746108) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one.

Molecular Properties

Compound Name2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
PubChem CID126746108
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC Name2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC1(CC(C)(C)N(Oc3ccccc3)C(C)(C)C1)NC2=O
InChIInChI=1S/C25H39N3O3/c1-20(2)14-24(15-21(3,4)27-20)19(29)26-25(31-24)16-22(5,6)28(23(7,8)17-25)30-18-12-10-9-11-13-18/h9-13,27H,14-17H2,1-8H3,(H,26,29)
InChIKeyTUFQTZALTVWTCP-UHFFFAOYSA-N
XLogP4.16
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
The IUPAC name of 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one (CID 126746108) is 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one.
What is the SMILES notation for 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
The canonical SMILES for 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one is CC1(C)CC2(CC(C)(C)N1)OC1(CC(C)(C)N(Oc3ccccc3)C(C)(C)C1)NC2=O.
What is the InChIKey of 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
The InChIKey is TUFQTZALTVWTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-20(2)14-24(15-21(3,4)27-20)19(29)26-25(31-24)16-22(5,6)28(23(7,8)17-25)30-18-12-10-9-11-13-18/h9-13,27H,14-17H2,1-8H3,(H,26,29).
What are the key properties of 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one has a molecular weight of 429.61 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,10,10,12,12-octamethyl-11-phenoxy-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one is sourced from PubChem (CID 126746108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).