CID 24988866

C30H42N2O5 — CID 24988866

IUPAC—
SMILESNC(=O)C1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C30H42N2O5/c31-28(33)24-7-11-32(12-8-24)13-14-34-27-3-1-22(2-4-27)23-5-9-29(10-6-23)35-30(37-36-29)25-16-20-15-21(18-25)19-26(30)17-20/h1-4,20-21,23-26H,5-19H2,(H2,31,33)
InChIKeyWACYVLODGYACBN-UHFFFAOYSA-N
MW510.68 g/mol
LogP4.75
Rot. Bonds6

About CID 24988866

CID 24988866 (PubChem CID 24988866) has the molecular formula C30H42N2O5 and a molecular weight of 510.68 g/mol.

Molecular Properties

Compound NameCID 24988866
PubChem CID24988866
Molecular FormulaC30H42N2O5
Molecular Weight510.68 g/mol
Exact Mass510.31
IUPAC Name—
SMILESNC(=O)C1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C30H42N2O5/c31-28(33)24-7-11-32(12-8-24)13-14-34-27-3-1-22(2-4-27)23-5-9-29(10-6-23)35-30(37-36-29)25-16-20-15-21(18-25)19-26(30)17-20/h1-4,20-21,23-26H,5-19H2,(H2,31,33)
InChIKeyWACYVLODGYACBN-UHFFFAOYSA-N
XLogP4.75
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.68
LogP ≤ 54.75
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 24988866?
The IUPAC name of CID 24988866 (CID 24988866) is not available.
What is the SMILES notation for CID 24988866?
The canonical SMILES for CID 24988866 is NC(=O)C1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1.
What is the InChIKey of CID 24988866?
The InChIKey is WACYVLODGYACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O5/c31-28(33)24-7-11-32(12-8-24)13-14-34-27-3-1-22(2-4-27)23-5-9-29(10-6-23)35-30(37-36-29)25-16-20-15-21(18-25)19-26(30)17-20/h1-4,20-21,23-26H,5-19H2,(H2,31,33).
What are the key properties of CID 24988866?
CID 24988866 has a molecular weight of 510.68 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24988866 is sourced from PubChem (CID 24988866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).