6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide

C13H21N3O3 — CID 64836259

IUPAC6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCN1C(=O)C2CC2C1=O)C(N)=O
InChIInChI=1S/C13H21N3O3/c1-13(15-2,12(14)19)5-3-4-6-16-10(17)8-7-9(8)11(16)18/h8-9,15H,3-7H2,1-2H3,(H2,14,19)
InChIKeyQVVWFZKZWTWHPM-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.38
Rot. Bonds7

About 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide

6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide (PubChem CID 64836259) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide
PubChem CID64836259
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCN1C(=O)C2CC2C1=O)C(N)=O
InChIInChI=1S/C13H21N3O3/c1-13(15-2,12(14)19)5-3-4-6-16-10(17)8-7-9(8)11(16)18/h8-9,15H,3-7H2,1-2H3,(H2,14,19)
InChIKeyQVVWFZKZWTWHPM-UHFFFAOYSA-N
XLogP-0.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide?
The IUPAC name of 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide (CID 64836259) is 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide.
What is the SMILES notation for 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide?
The canonical SMILES for 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide is CNC(C)(CCCCN1C(=O)C2CC2C1=O)C(N)=O.
What is the InChIKey of 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide?
The InChIKey is QVVWFZKZWTWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(15-2,12(14)19)5-3-4-6-16-10(17)8-7-9(8)11(16)18/h8-9,15H,3-7H2,1-2H3,(H2,14,19).
What are the key properties of 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide?
6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide has a molecular weight of 267.33 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide is sourced from PubChem (CID 64836259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).