CID 24999453

C29H41NO5 — CID 24999453

IUPAC—
SMILESOC1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C29H41NO5/c31-26-7-11-30(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-29(35-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26,31H,5-19H2
InChIKeyKPXLROLJYVDSAM-UHFFFAOYSA-N
MW483.65 g/mol
LogP5.01
Rot. Bonds5

About CID 24999453

CID 24999453 (PubChem CID 24999453) has the molecular formula C29H41NO5 and a molecular weight of 483.65 g/mol.

Molecular Properties

Compound NameCID 24999453
PubChem CID24999453
Molecular FormulaC29H41NO5
Molecular Weight483.65 g/mol
Exact Mass483.30
IUPAC Name—
SMILESOC1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C29H41NO5/c31-26-7-11-30(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-29(35-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26,31H,5-19H2
InChIKeyKPXLROLJYVDSAM-UHFFFAOYSA-N
XLogP5.01
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.65
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 24999453?
The IUPAC name of CID 24999453 (CID 24999453) is not available.
What is the SMILES notation for CID 24999453?
The canonical SMILES for CID 24999453 is OC1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1.
What is the InChIKey of CID 24999453?
The InChIKey is KPXLROLJYVDSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO5/c31-26-7-11-30(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-29(35-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26,31H,5-19H2.
What are the key properties of CID 24999453?
CID 24999453 has a molecular weight of 483.65 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24999453 is sourced from PubChem (CID 24999453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).