CID 24987382

C30H42N2O5 — CID 24987382

IUPAC—
SMILESCC(=O)N1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C30H42N2O5/c1-21(33)32-12-10-31(11-13-32)14-15-34-28-4-2-24(3-5-28)25-6-8-29(9-7-25)35-30(37-36-29)26-17-22-16-23(19-26)20-27(30)18-22/h2-5,22-23,25-27H,6-20H2,1H3
InChIKeyABWYMWFRPOAKSW-UHFFFAOYSA-N
MW510.68 g/mol
LogP4.71
Rot. Bonds5

About CID 24987382

CID 24987382 (PubChem CID 24987382) has the molecular formula C30H42N2O5 and a molecular weight of 510.68 g/mol.

Molecular Properties

Compound NameCID 24987382
PubChem CID24987382
Molecular FormulaC30H42N2O5
Molecular Weight510.68 g/mol
Exact Mass510.31
IUPAC Name—
SMILESCC(=O)N1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C30H42N2O5/c1-21(33)32-12-10-31(11-13-32)14-15-34-28-4-2-24(3-5-28)25-6-8-29(9-7-25)35-30(37-36-29)26-17-22-16-23(19-26)20-27(30)18-22/h2-5,22-23,25-27H,6-20H2,1H3
InChIKeyABWYMWFRPOAKSW-UHFFFAOYSA-N
XLogP4.71
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.68
LogP ≤ 54.71
H-Bond Donors ≤ 50
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 24987382?
The IUPAC name of CID 24987382 (CID 24987382) is not available.
What is the SMILES notation for CID 24987382?
The canonical SMILES for CID 24987382 is CC(=O)N1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1.
What is the InChIKey of CID 24987382?
The InChIKey is ABWYMWFRPOAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O5/c1-21(33)32-12-10-31(11-13-32)14-15-34-28-4-2-24(3-5-28)25-6-8-29(9-7-25)35-30(37-36-29)26-17-22-16-23(19-26)20-27(30)18-22/h2-5,22-23,25-27H,6-20H2,1H3.
What are the key properties of CID 24987382?
CID 24987382 has a molecular weight of 510.68 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24987382 is sourced from PubChem (CID 24987382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).