2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

C22H25N3O4 — CID 3221228

IUPAC2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESCC12C=CC3(O1)C(C(=O)N(c1ccccc1)C3C(=O)NC1CCCC1)C2C(N)=O
InChIInChI=1S/C22H25N3O4/c1-21-11-12-22(29-21)16(15(21)18(23)26)20(28)25(14-9-3-2-4-10-14)17(22)19(27)24-13-7-5-6-8-13/h2-4,9-13,15-17H,5-8H2,1H3,(H2,23,26)(H,24,27)
InChIKeyVASZAWIEAHCIHF-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.28
Rot. Bonds4

About 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 3221228) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID3221228
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESCC12C=CC3(O1)C(C(=O)N(c1ccccc1)C3C(=O)NC1CCCC1)C2C(N)=O
InChIInChI=1S/C22H25N3O4/c1-21-11-12-22(29-21)16(15(21)18(23)26)20(28)25(14-9-3-2-4-10-14)17(22)19(27)24-13-7-5-6-8-13/h2-4,9-13,15-17H,5-8H2,1H3,(H2,23,26)(H,24,27)
InChIKeyVASZAWIEAHCIHF-UHFFFAOYSA-N
XLogP1.28
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The IUPAC name of 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 3221228) is 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.
What is the SMILES notation for 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The canonical SMILES for 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is CC12C=CC3(O1)C(C(=O)N(c1ccccc1)C3C(=O)NC1CCCC1)C2C(N)=O.
What is the InChIKey of 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The InChIKey is VASZAWIEAHCIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-21-11-12-22(29-21)16(15(21)18(23)26)20(28)25(14-9-3-2-4-10-14)17(22)19(27)24-13-7-5-6-8-13/h2-4,9-13,15-17H,5-8H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-7-methyl-4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 3221228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).