CID 11361554

C24H33NO4 — CID 11361554

IUPAC—
SMILESNCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H33NO4/c25-9-10-26-22-3-1-18(2-4-22)19-5-7-23(8-6-19)27-24(29-28-23)20-12-16-11-17(14-20)15-21(24)13-16/h1-4,16-17,19-21H,5-15,25H2
InChIKeyVMONZEUPUYQQHE-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.51
Rot. Bonds4

About CID 11361554

CID 11361554 (PubChem CID 11361554) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol.

Molecular Properties

Compound NameCID 11361554
PubChem CID11361554
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name—
SMILESNCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H33NO4/c25-9-10-26-22-3-1-18(2-4-22)19-5-7-23(8-6-19)27-24(29-28-23)20-12-16-11-17(14-20)15-21(24)13-16/h1-4,16-17,19-21H,5-15,25H2
InChIKeyVMONZEUPUYQQHE-UHFFFAOYSA-N
XLogP4.51
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11361554?
The IUPAC name of CID 11361554 (CID 11361554) is not available.
What is the SMILES notation for CID 11361554?
The canonical SMILES for CID 11361554 is NCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 11361554?
The InChIKey is VMONZEUPUYQQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c25-9-10-26-22-3-1-18(2-4-22)19-5-7-23(8-6-19)27-24(29-28-23)20-12-16-11-17(14-20)15-21(24)13-16/h1-4,16-17,19-21H,5-15,25H2.
What are the key properties of CID 11361554?
CID 11361554 has a molecular weight of 399.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11361554 is sourced from PubChem (CID 11361554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).