tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate

C17H29N3O3 — CID 16740613

IUPACtert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2
InChIInChI=1S/C17H29N3O3/c1-15(2,3)23-14(22)20-11-9-17(10-12-20)18-13(21)16(19-17)7-5-4-6-8-16/h19H,4-12H2,1-3H3,(H,18,21)
InChIKeyNFZOCULMNBBFFL-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.14
Rot. Bonds

About tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate

tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate (PubChem CID 16740613) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate.

Molecular Properties

Compound Nametert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate
PubChem CID16740613
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2
InChIInChI=1S/C17H29N3O3/c1-15(2,3)23-14(22)20-11-9-17(10-12-20)18-13(21)16(19-17)7-5-4-6-8-16/h19H,4-12H2,1-3H3,(H,18,21)
InChIKeyNFZOCULMNBBFFL-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate?
The IUPAC name of tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate (CID 16740613) is tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate.
What is the SMILES notation for tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate?
The canonical SMILES for tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2.
What is the InChIKey of tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate?
The InChIKey is NFZOCULMNBBFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-15(2,3)23-14(22)20-11-9-17(10-12-20)18-13(21)16(19-17)7-5-4-6-8-16/h19H,4-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate?
tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 15-oxo-7,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxylate is sourced from PubChem (CID 16740613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).