CID 11750186

C24H27NO5 — CID 11750186

IUPAC—
SMILESO=C1c2ccccc2C(=O)N1C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H27NO5/c26-21-19-3-1-2-4-20(19)22(27)25(21)18-5-7-23(8-6-18)28-24(30-29-23)16-10-14-9-15(12-16)13-17(24)11-14/h1-4,14-18H,5-13H2
InChIKeyVXGPMFITCGXAAB-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.05
Rot. Bonds1

About CID 11750186

CID 11750186 (PubChem CID 11750186) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol.

Molecular Properties

Compound NameCID 11750186
PubChem CID11750186
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)N1C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H27NO5/c26-21-19-3-1-2-4-20(19)22(27)25(21)18-5-7-23(8-6-18)28-24(30-29-23)16-10-14-9-15(12-16)13-17(24)11-14/h1-4,14-18H,5-13H2
InChIKeyVXGPMFITCGXAAB-UHFFFAOYSA-N
XLogP4.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11750186?
The IUPAC name of CID 11750186 (CID 11750186) is not available.
What is the SMILES notation for CID 11750186?
The canonical SMILES for CID 11750186 is O=C1c2ccccc2C(=O)N1C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 11750186?
The InChIKey is VXGPMFITCGXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c26-21-19-3-1-2-4-20(19)22(27)25(21)18-5-7-23(8-6-18)28-24(30-29-23)16-10-14-9-15(12-16)13-17(24)11-14/h1-4,14-18H,5-13H2.
What are the key properties of CID 11750186?
CID 11750186 has a molecular weight of 409.48 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11750186 is sourced from PubChem (CID 11750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).