N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C13H20N2O3 — CID 24833933

IUPACN-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C13H20N2O3/c1-12(2)8-5-6-13(12,3)11(18)15(10(8)17)7-9(16)14-4/h8H,5-7H2,1-4H3,(H,14,16)
InChIKeyCMQILJYUHONFRW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.54
Rot. Bonds2

About N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 24833933) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID24833933
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C13H20N2O3/c1-12(2)8-5-6-13(12,3)11(18)15(10(8)17)7-9(16)14-4/h8H,5-7H2,1-4H3,(H,14,16)
InChIKeyCMQILJYUHONFRW-UHFFFAOYSA-N
XLogP0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 24833933) is N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is CNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C.
What is the InChIKey of N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is CMQILJYUHONFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-12(2)8-5-6-13(12,3)11(18)15(10(8)17)7-9(16)14-4/h8H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 24833933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).