CID 58590226

C25H25N2O2 — CID 58590226

IUPAC—
SMILESC=CC(=O)Oc1ccc(N(c2ccccc2)c2ccc(N([CH]C)CC)cc2)cc1
InChIInChI=1S/C25H25N2O2/c1-4-25(28)29-24-18-16-23(17-19-24)27(21-10-8-7-9-11-21)22-14-12-20(13-15-22)26(5-2)6-3/h4-5,7-19H,1,6H2,2-3H3
InChIKeyUCOSWEWRIXXBQX-UHFFFAOYSA-N
MW385.49 g/mol
LogP6.26
Rot. Bonds8

About CID 58590226

CID 58590226 (PubChem CID 58590226) has the molecular formula C25H25N2O2 and a molecular weight of 385.49 g/mol.

Molecular Properties

Compound NameCID 58590226
PubChem CID58590226
Molecular FormulaC25H25N2O2
Molecular Weight385.49 g/mol
Exact Mass385.19
IUPAC Name—
SMILESC=CC(=O)Oc1ccc(N(c2ccccc2)c2ccc(N([CH]C)CC)cc2)cc1
InChIInChI=1S/C25H25N2O2/c1-4-25(28)29-24-18-16-23(17-19-24)27(21-10-8-7-9-11-21)22-14-12-20(13-15-22)26(5-2)6-3/h4-5,7-19H,1,6H2,2-3H3
InChIKeyUCOSWEWRIXXBQX-UHFFFAOYSA-N
XLogP6.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58590226?
The IUPAC name of CID 58590226 (CID 58590226) is not available.
What is the SMILES notation for CID 58590226?
The canonical SMILES for CID 58590226 is C=CC(=O)Oc1ccc(N(c2ccccc2)c2ccc(N([CH]C)CC)cc2)cc1.
What is the InChIKey of CID 58590226?
The InChIKey is UCOSWEWRIXXBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2O2/c1-4-25(28)29-24-18-16-23(17-19-24)27(21-10-8-7-9-11-21)22-14-12-20(13-15-22)26(5-2)6-3/h4-5,7-19H,1,6H2,2-3H3.
What are the key properties of CID 58590226?
CID 58590226 has a molecular weight of 385.49 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58590226 is sourced from PubChem (CID 58590226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).