2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

C23H31N3O4 — CID 24761980

IUPAC2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESC=CCN1C(=O)C2C(C(=O)NC3CCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1
InChIInChI=1S/C23H31N3O4/c1-2-13-26-19(21(28)25-15-9-5-6-10-15)23-12-11-16(30-23)17(18(23)22(26)29)20(27)24-14-7-3-4-8-14/h2,11-12,14-19H,1,3-10,13H2,(H,24,27)(H,25,28)
InChIKeyXANIKYZLQSODCB-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.44
Rot. Bonds6

About 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 24761980) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID24761980
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESC=CCN1C(=O)C2C(C(=O)NC3CCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1
InChIInChI=1S/C23H31N3O4/c1-2-13-26-19(21(28)25-15-9-5-6-10-15)23-12-11-16(30-23)17(18(23)22(26)29)20(27)24-14-7-3-4-8-14/h2,11-12,14-19H,1,3-10,13H2,(H,24,27)(H,25,28)
InChIKeyXANIKYZLQSODCB-UHFFFAOYSA-N
XLogP1.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 24761980) is 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is C=CCN1C(=O)C2C(C(=O)NC3CCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1.
What is the InChIKey of 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The InChIKey is XANIKYZLQSODCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-2-13-26-19(21(28)25-15-9-5-6-10-15)23-12-11-16(30-23)17(18(23)22(26)29)20(27)24-14-7-3-4-8-14/h2,11-12,14-19H,1,3-10,13H2,(H,24,27)(H,25,28).
What are the key properties of 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 413.52 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dicyclopentyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 24761980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).