2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide

C16H18N2O4 — CID 2924493

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccco1
InChIInChI=1S/C16H18N2O4/c19-12(17-7-11-2-1-5-22-11)8-18-15(20)13-9-3-4-10(6-9)14(13)16(18)21/h1-2,5,9-10,13-14H,3-4,6-8H2,(H,17,19)
InChIKeyZFVMRTPOFPUPHD-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.93
Rot. Bonds4

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 2924493) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID2924493
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccco1
InChIInChI=1S/C16H18N2O4/c19-12(17-7-11-2-1-5-22-11)8-18-15(20)13-9-3-4-10(6-9)14(13)16(18)21/h1-2,5,9-10,13-14H,3-4,6-8H2,(H,17,19)
InChIKeyZFVMRTPOFPUPHD-UHFFFAOYSA-N
XLogP0.93
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide (CID 2924493) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccco1.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZFVMRTPOFPUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-12(17-7-11-2-1-5-22-11)8-18-15(20)13-9-3-4-10(6-9)14(13)16(18)21/h1-2,5,9-10,13-14H,3-4,6-8H2,(H,17,19).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2924493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).