CID 54757704

C26H42N2O4 — CID 54757704

IUPAC—
SMILESCC(C)CN1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C26H42N2O4/c1-18(2)17-27-7-9-28(10-8-27)24(29)16-19-3-5-25(6-4-19)30-26(32-31-25)22-12-20-11-21(14-22)15-23(26)13-20/h18-23H,3-17H2,1-2H3
InChIKeyWWDAZEGADXQVGL-UHFFFAOYSA-N
MW446.63 g/mol
LogP4.19
Rot. Bonds4

About CID 54757704

CID 54757704 (PubChem CID 54757704) has the molecular formula C26H42N2O4 and a molecular weight of 446.63 g/mol.

Molecular Properties

Compound NameCID 54757704
PubChem CID54757704
Molecular FormulaC26H42N2O4
Molecular Weight446.63 g/mol
Exact Mass446.31
IUPAC Name—
SMILESCC(C)CN1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C26H42N2O4/c1-18(2)17-27-7-9-28(10-8-27)24(29)16-19-3-5-25(6-4-19)30-26(32-31-25)22-12-20-11-21(14-22)15-23(26)13-20/h18-23H,3-17H2,1-2H3
InChIKeyWWDAZEGADXQVGL-UHFFFAOYSA-N
XLogP4.19
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 54.19
H-Bond Donors ≤ 50
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 54757704?
The IUPAC name of CID 54757704 (CID 54757704) is not available.
What is the SMILES notation for CID 54757704?
The canonical SMILES for CID 54757704 is CC(C)CN1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of CID 54757704?
The InChIKey is WWDAZEGADXQVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O4/c1-18(2)17-27-7-9-28(10-8-27)24(29)16-19-3-5-25(6-4-19)30-26(32-31-25)22-12-20-11-21(14-22)15-23(26)13-20/h18-23H,3-17H2,1-2H3.
What are the key properties of CID 54757704?
CID 54757704 has a molecular weight of 446.63 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54757704 is sourced from PubChem (CID 54757704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).