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

C17H30N4O3 — CID 118739780

IUPACN,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)CC(=O)N1CCN(C(=O)N(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C17H30N4O3/c1-13(2)8-14(22)20-6-7-21(16(24)18(3)4)12-17(11-20)9-15(23)19(5)10-17/h13H,6-12H2,1-5H3
InChIKeyZVHMEQQXYMOOQZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP0.71
Rot. Bonds2

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

N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118739780) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118739780
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)CC(=O)N1CCN(C(=O)N(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C17H30N4O3/c1-13(2)8-14(22)20-6-7-21(16(24)18(3)4)12-17(11-20)9-15(23)19(5)10-17/h13H,6-12H2,1-5H3
InChIKeyZVHMEQQXYMOOQZ-UHFFFAOYSA-N
XLogP0.71
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439083
3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97522023
N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739144
N,N,2-trimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739546
7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739549
7-N,10-N,10-N,2-tetramethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 118739550
2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739551
2-methyl-7-(2-methylpropanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739556
7-acetyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739586
10-N,10-N,2-trimethyl-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 118739783
10-acetyl-2-ethyl-N-methyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118740729
2-ethyl-10-(2-methylpropanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118740730

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118739780) is N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CC(C)CC(=O)N1CCN(C(=O)N(C)C)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is ZVHMEQQXYMOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-13(2)8-14(22)20-6-7-21(16(24)18(3)4)12-17(11-20)9-15(23)19(5)10-17/h13H,6-12H2,1-5H3.
What are the key properties of N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118739780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).