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

C18H32N4O3 — CID 118739551

IUPAC2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)CC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C18H32N4O3/c1-13(2)8-15(23)21-6-7-22(17(25)19-14(3)4)12-18(11-21)9-16(24)20(5)10-18/h13-14H,6-12H2,1-5H3,(H,19,25)
InChIKeyPDZJQKDITOHIMY-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.14
Rot. Bonds3

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

2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118739551) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118739551
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)CC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C18H32N4O3/c1-13(2)8-15(23)21-6-7-22(17(25)19-14(3)4)12-18(11-21)9-16(24)20(5)10-18/h13-14H,6-12H2,1-5H3,(H,19,25)
InChIKeyPDZJQKDITOHIMY-UHFFFAOYSA-N
XLogP1.14
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
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-(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
N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739780
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 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118739551) is 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CC(C)CC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is PDZJQKDITOHIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-13(2)8-15(23)21-6-7-22(17(25)19-14(3)4)12-18(11-21)9-16(24)20(5)10-18/h13-14H,6-12H2,1-5H3,(H,19,25).
What are the key properties of 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118739551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).