6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

C24H35N3O4 — CID 647144

IUPAC6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESCC(C)N1C(=O)C2C(C(=O)NC3CCCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1
InChIInChI=1S/C24H35N3O4/c1-14(2)27-20(22(29)26-16-10-6-7-11-16)24-13-12-17(31-24)18(19(24)23(27)30)21(28)25-15-8-4-3-5-9-15/h12-20H,3-11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRPHPHNVVDAHDDN-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.05
Rot. Bonds5

About 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 647144) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID647144
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILESCC(C)N1C(=O)C2C(C(=O)NC3CCCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1
InChIInChI=1S/C24H35N3O4/c1-14(2)27-20(22(29)26-16-10-6-7-11-16)24-13-12-17(31-24)18(19(24)23(27)30)21(28)25-15-8-4-3-5-9-15/h12-20H,3-11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRPHPHNVVDAHDDN-UHFFFAOYSA-N
XLogP2.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 5307624
CID 5307624
CID 644573
CID 644573
CID 5309615
CID 5309615
CID 3237886
CID 3237886
CID 648904
CID 648904
CID 24761934
CID 24761934
CID 24761980
CID 24761980
CID 3220158
CID 3220158
CID 3220184
CID 3220184
CID 3228453
CID 3228453
CID 70712302
CID 70712302
CID 3220072
CID 3220072

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 647144) is 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is CC(C)N1C(=O)C2C(C(=O)NC3CCCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1.
What is the InChIKey of 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
The InChIKey is RPHPHNVVDAHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-14(2)27-20(22(29)26-16-10-6-7-11-16)24-13-12-17(31-24)18(19(24)23(27)30)21(28)25-15-8-4-3-5-9-15/h12-20H,3-11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?
6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 429.56 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-cyclopentyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 647144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).