N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide

C15H20N2O3 — CID 2941495

IUPACN-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C15H20N2O3/c1-3-8(2)16-11(18)7-17-14(19)12-9-4-5-10(6-9)13(12)15(17)20/h4-5,8-10,12-13H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyKJQCZMXFBJXGBL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.71
Rot. Bonds4

About N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide

N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide (PubChem CID 2941495) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
PubChem CID2941495
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C15H20N2O3/c1-3-8(2)16-11(18)7-17-14(19)12-9-4-5-10(6-9)13(12)15(17)20/h4-5,8-10,12-13H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyKJQCZMXFBJXGBL-UHFFFAOYSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide (CID 2941495) is N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide is CCC(C)NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The InChIKey is KJQCZMXFBJXGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-8(2)16-11(18)7-17-14(19)12-9-4-5-10(6-9)13(12)15(17)20/h4-5,8-10,12-13H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide is sourced from PubChem (CID 2941495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).