5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide

C11H21N5O2 — CID 67785208

IUPAC5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CNC(=O)N1C(=O)C2N(C)N1NC2(C)C
InChIInChI=1S/C11H21N5O2/c1-7(2)6-12-10(18)15-9(17)8-11(3,4)13-16(15)14(8)5/h7-8,13H,6H2,1-5H3,(H,12,18)
InChIKeyJCDUKOYSWHREAN-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.08
Rot. Bonds2

About 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide

5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 67785208) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID67785208
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CNC(=O)N1C(=O)C2N(C)N1NC2(C)C
InChIInChI=1S/C11H21N5O2/c1-7(2)6-12-10(18)15-9(17)8-11(3,4)13-16(15)14(8)5/h7-8,13H,6H2,1-5H3,(H,12,18)
InChIKeyJCDUKOYSWHREAN-UHFFFAOYSA-N
XLogP-0.08
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

5,6,6-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,4,7-tetrazabicyclo[3.2.0]heptane-2-carboxamide
CID 54303345
2-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
CID 130775761
1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea
CID 7190812
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 128659331
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methylpropyl)acetamide
CID 98869412
3-methylidene-N-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138988279
3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
CID 170110889
N-(2-methylpropyl)-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetamide
CID 113405105
(3R)-N-(2-methylpropyl)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decane-2-carboxamide
CID 164630999
4-[3-(cyclopropylmethoxy)-2-oxo-1-azaspiro[3.5]nonan-1-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91925500
(3R,4R)-4-amino-1-methyl-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 89470271

Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide (CID 67785208) is 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide is CC(C)CNC(=O)N1C(=O)C2N(C)N1NC2(C)C.
What is the InChIKey of 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JCDUKOYSWHREAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(2)6-12-10(18)15-9(17)8-11(3,4)13-16(15)14(8)5/h7-8,13H,6H2,1-5H3,(H,12,18).
What are the key properties of 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide?
5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-N-(2-methylpropyl)-3-oxo-1,2,6,7-tetrazabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 67785208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).