N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C15H26N4O3 — CID 118739144

IUPACN,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCNC(=O)N1CCN(C(=O)C(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C15H26N4O3/c1-11(2)13(21)18-5-6-19(14(22)16-3)10-15(9-18)7-12(20)17(4)8-15/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyMKPWPIWDNFEBMU-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.03
Rot. Bonds1

About N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118739144) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118739144
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCNC(=O)N1CCN(C(=O)C(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C15H26N4O3/c1-11(2)13(21)18-5-6-19(14(22)16-3)10-15(9-18)7-12(20)17(4)8-15/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyMKPWPIWDNFEBMU-UHFFFAOYSA-N
XLogP-0.03
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118739144) is N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CNC(=O)N1CCN(C(=O)C(C)C)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is MKPWPIWDNFEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(2)13(21)18-5-6-19(14(22)16-3)10-15(9-18)7-12(20)17(4)8-15/h11H,5-10H2,1-4H3,(H,16,22).
What are the key properties of N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 310.40 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118739144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).