CID 10669647

C26H27NO4 — CID 10669647

IUPAC—
SMILESCC(=O)Oc1ccc2c(c1)C1(OOC13C1CC4CC(C1)CC3C4)c1ccccc1N2C
InChIInChI=1S/C26H27NO4/c1-15(28)29-20-7-8-24-22(14-20)26(21-5-3-4-6-23(21)27(24)2)25(30-31-26)18-10-16-9-17(12-18)13-19(25)11-16/h3-8,14,16-19H,9-13H2,1-2H3
InChIKeyGOWJGHFMSDFZQE-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.09
Rot. Bonds1

About CID 10669647

CID 10669647 (PubChem CID 10669647) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol.

Molecular Properties

Compound NameCID 10669647
PubChem CID10669647
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name—
SMILESCC(=O)Oc1ccc2c(c1)C1(OOC13C1CC4CC(C1)CC3C4)c1ccccc1N2C
InChIInChI=1S/C26H27NO4/c1-15(28)29-20-7-8-24-22(14-20)26(21-5-3-4-6-23(21)27(24)2)25(30-31-26)18-10-16-9-17(12-18)13-19(25)11-16/h3-8,14,16-19H,9-13H2,1-2H3
InChIKeyGOWJGHFMSDFZQE-UHFFFAOYSA-N
XLogP5.09
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 10669647 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10669647?
The IUPAC name of CID 10669647 (CID 10669647) is not available.
What is the SMILES notation for CID 10669647?
The canonical SMILES for CID 10669647 is CC(=O)Oc1ccc2c(c1)C1(OOC13C1CC4CC(C1)CC3C4)c1ccccc1N2C.
What is the InChIKey of CID 10669647?
The InChIKey is GOWJGHFMSDFZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-15(28)29-20-7-8-24-22(14-20)26(21-5-3-4-6-23(21)27(24)2)25(30-31-26)18-10-16-9-17(12-18)13-19(25)11-16/h3-8,14,16-19H,9-13H2,1-2H3.
What are the key properties of CID 10669647?
CID 10669647 has a molecular weight of 417.51 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10669647 is sourced from PubChem (CID 10669647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).