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

C19H35N3O2 — CID 6454849

IUPAC2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
SMILESCC1(C)CC2(CC(C)(C)N1)NC(=O)C1(CC(C)(C)NC(C)(C)C1)O2
InChIInChI=1S/C19H35N3O2/c1-14(2)9-18(10-15(3,4)21-14)13(23)20-19(24-18)11-16(5,6)22-17(7,8)12-19/h21-22H,9-12H2,1-8H3,(H,20,23)
InChIKeyZXAKTFGAXOORCD-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.45
Rot. Bonds

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

2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one (PubChem CID 6454849) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2,2,4,4,10,10,12,12-octamethyl-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-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
PubChem CID6454849
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
SMILESCC1(C)CC2(CC(C)(C)N1)NC(=O)C1(CC(C)(C)NC(C)(C)C1)O2
InChIInChI=1S/C19H35N3O2/c1-14(2)9-18(10-15(3,4)21-14)13(23)20-19(24-18)11-16(5,6)22-17(7,8)12-19/h21-22H,9-12H2,1-8H3,(H,20,23)
InChIKeyZXAKTFGAXOORCD-UHFFFAOYSA-N
XLogP2.45
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,10,10,12,12-octamethyl-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-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one (CID 6454849) is 2,2,4,4,10,10,12,12-octamethyl-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-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-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one is CC1(C)CC2(CC(C)(C)N1)NC(=O)C1(CC(C)(C)NC(C)(C)C1)O2.
What is the InChIKey of 2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
The InChIKey is ZXAKTFGAXOORCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-14(2)9-18(10-15(3,4)21-14)13(23)20-19(24-18)11-16(5,6)22-17(7,8)12-19/h21-22H,9-12H2,1-8H3,(H,20,23).
What are the key properties of 2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one has a molecular weight of 337.51 g/mol, XLogP of 2.45, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one is sourced from PubChem (CID 6454849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).