CID 24990727

C27H38N2O5 — CID 24990727

IUPAC—
SMILESNCC(=O)NCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C27H38N2O5/c28-17-25(30)29-10-1-11-31-24-4-2-20(3-5-24)21-6-8-26(9-7-21)32-27(34-33-26)22-13-18-12-19(15-22)16-23(27)14-18/h2-5,18-19,21-23H,1,6-17,28H2,(H,29,30)
InChIKeyZWDHEMIRISUGNP-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.02
Rot. Bonds7

About CID 24990727

CID 24990727 (PubChem CID 24990727) has the molecular formula C27H38N2O5 and a molecular weight of 470.61 g/mol.

Molecular Properties

Compound NameCID 24990727
PubChem CID24990727
Molecular FormulaC27H38N2O5
Molecular Weight470.61 g/mol
Exact Mass470.28
IUPAC Name—
SMILESNCC(=O)NCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C27H38N2O5/c28-17-25(30)29-10-1-11-31-24-4-2-20(3-5-24)21-6-8-26(9-7-21)32-27(34-33-26)22-13-18-12-19(15-22)16-23(27)14-18/h2-5,18-19,21-23H,1,6-17,28H2,(H,29,30)
InChIKeyZWDHEMIRISUGNP-UHFFFAOYSA-N
XLogP4.02
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24990727?
The IUPAC name of CID 24990727 (CID 24990727) is not available.
What is the SMILES notation for CID 24990727?
The canonical SMILES for CID 24990727 is NCC(=O)NCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 24990727?
The InChIKey is ZWDHEMIRISUGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O5/c28-17-25(30)29-10-1-11-31-24-4-2-20(3-5-24)21-6-8-26(9-7-21)32-27(34-33-26)22-13-18-12-19(15-22)16-23(27)14-18/h2-5,18-19,21-23H,1,6-17,28H2,(H,29,30).
What are the key properties of CID 24990727?
CID 24990727 has a molecular weight of 470.61 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24990727 is sourced from PubChem (CID 24990727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).