12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one

C21H41N3O2 — CID 126746115

IUPAC12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one
SMILESCON1C(C)(C)CCC(=O)NC2(CCC1(C)C)CC(C)(C)NC(C)(C)C2
InChIInChI=1S/C21H41N3O2/c1-17(2)14-21(15-18(3,4)23-17)13-12-20(7,8)24(26-9)19(5,6)11-10-16(25)22-21/h23H,10-15H2,1-9H3,(H,22,25)
InChIKeyHSYJVBVCYAHXTE-UHFFFAOYSA-N
MW367.58 g/mol
LogP3.78
Rot. Bonds1

About 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one

12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one (PubChem CID 126746115) has the molecular formula C21H41N3O2 and a molecular weight of 367.58 g/mol. Its IUPAC name is 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one.

Molecular Properties

Compound Name12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one
PubChem CID126746115
Molecular FormulaC21H41N3O2
Molecular Weight367.58 g/mol
Exact Mass367.32
IUPAC Name12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one
SMILESCON1C(C)(C)CCC(=O)NC2(CCC1(C)C)CC(C)(C)NC(C)(C)C2
InChIInChI=1S/C21H41N3O2/c1-17(2)14-21(15-18(3,4)23-17)13-12-20(7,8)24(26-9)19(5,6)11-10-16(25)22-21/h23H,10-15H2,1-9H3,(H,22,25)
InChIKeyHSYJVBVCYAHXTE-UHFFFAOYSA-N
XLogP3.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one?
The IUPAC name of 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one (CID 126746115) is 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one.
What is the SMILES notation for 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one?
The canonical SMILES for 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one is CON1C(C)(C)CCC(=O)NC2(CCC1(C)C)CC(C)(C)NC(C)(C)C2.
What is the InChIKey of 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one?
The InChIKey is HSYJVBVCYAHXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O2/c1-17(2)14-21(15-18(3,4)23-17)13-12-20(7,8)24(26-9)19(5,6)11-10-16(25)22-21/h23H,10-15H2,1-9H3,(H,22,25).
What are the key properties of 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one?
12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one has a molecular weight of 367.58 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-2,2,4,4,11,11,13,13-octamethyl-3,7,12-triazaspiro[5.9]pentadecan-8-one is sourced from PubChem (CID 126746115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).