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

C24H33N3O4 — CID 24761934

IUPAC2-N,6-N-dicyclopentyl-7-methyl-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)C3(C)C=CC2(O3)C1C(=O)NC1CCCC1
InChIInChI=1S/C24H33N3O4/c1-3-14-27-19(21(29)26-16-10-6-7-11-16)24-13-12-23(2,31-24)17(18(24)22(27)30)20(28)25-15-8-4-5-9-15/h3,12-13,15-19H,1,4-11,14H2,2H3,(H,25,28)(H,26,29)
InChIKeyBPBLWAOACBTLHZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.83
Rot. Bonds6

About 2-N,6-N-dicyclopentyl-7-methyl-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-7-methyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 24761934) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-N,6-N-dicyclopentyl-7-methyl-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-7-methyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID24761934
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name2-N,6-N-dicyclopentyl-7-methyl-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)C3(C)C=CC2(O3)C1C(=O)NC1CCCC1
InChIInChI=1S/C24H33N3O4/c1-3-14-27-19(21(29)26-16-10-6-7-11-16)24-13-12-23(2,31-24)17(18(24)22(27)30)20(28)25-15-8-4-5-9-15/h3,12-13,15-19H,1,4-11,14H2,2H3,(H,25,28)(H,26,29)
InChIKeyBPBLWAOACBTLHZ-UHFFFAOYSA-N
XLogP1.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.83
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,6-N-dicyclopentyl-7-methyl-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-7-methyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 24761934) is 2-N,6-N-dicyclopentyl-7-methyl-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-7-methyl-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-7-methyl-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)C3(C)C=CC2(O3)C1C(=O)NC1CCCC1.
What is the InChIKey of 2-N,6-N-dicyclopentyl-7-methyl-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The InChIKey is BPBLWAOACBTLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-3-14-27-19(21(29)26-16-10-6-7-11-16)24-13-12-23(2,31-24)17(18(24)22(27)30)20(28)25-15-8-4-5-9-15/h3,12-13,15-19H,1,4-11,14H2,2H3,(H,25,28)(H,26,29).
What are the key properties of 2-N,6-N-dicyclopentyl-7-methyl-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-7-methyl-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 427.55 g/mol, XLogP of 1.83, 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-7-methyl-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 24761934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).