CID 70220546

C25H28N2O5 — CID 70220546

IUPAC—
SMILESCOc1ccc(COc2ccc3c(c2)C2(NC(=O)NC2=O)C2(CCC(OC)CC2)C3)cc1
InChIInChI=1S/C25H28N2O5/c1-30-18-6-3-16(4-7-18)15-32-20-8-5-17-14-24(11-9-19(31-2)10-12-24)25(21(17)13-20)22(28)26-23(29)27-25/h3-8,13,19H,9-12,14-15H2,1-2H3,(H2,26,27,28,29)
InChIKeyDDLSTLSYWBJUBT-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.44
Rot. Bonds5

About CID 70220546

CID 70220546 (PubChem CID 70220546) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol.

Molecular Properties

Compound NameCID 70220546
PubChem CID70220546
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name—
SMILESCOc1ccc(COc2ccc3c(c2)C2(NC(=O)NC2=O)C2(CCC(OC)CC2)C3)cc1
InChIInChI=1S/C25H28N2O5/c1-30-18-6-3-16(4-7-18)15-32-20-8-5-17-14-24(11-9-19(31-2)10-12-24)25(21(17)13-20)22(28)26-23(29)27-25/h3-8,13,19H,9-12,14-15H2,1-2H3,(H2,26,27,28,29)
InChIKeyDDLSTLSYWBJUBT-UHFFFAOYSA-N
XLogP3.44
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70220546?
The IUPAC name of CID 70220546 (CID 70220546) is not available.
What is the SMILES notation for CID 70220546?
The canonical SMILES for CID 70220546 is COc1ccc(COc2ccc3c(c2)C2(NC(=O)NC2=O)C2(CCC(OC)CC2)C3)cc1.
What is the InChIKey of CID 70220546?
The InChIKey is DDLSTLSYWBJUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-30-18-6-3-16(4-7-18)15-32-20-8-5-17-14-24(11-9-19(31-2)10-12-24)25(21(17)13-20)22(28)26-23(29)27-25/h3-8,13,19H,9-12,14-15H2,1-2H3,(H2,26,27,28,29).
What are the key properties of CID 70220546?
CID 70220546 has a molecular weight of 436.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70220546 is sourced from PubChem (CID 70220546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).