CID 11036068

C24H23N2O2 — CID 11036068

IUPAC—
SMILESCC(C)Oc1cccc2c1N([O])C(C)(c1ccccc1)/C2=N/c1ccccc1
InChIInChI=1S/C24H23N2O2/c1-17(2)28-21-16-10-15-20-22(21)26(27)24(3,18-11-6-4-7-12-18)23(20)25-19-13-8-5-9-14-19/h4-17H,1-3H3/b25-23+
InChIKeyRTHUGWSFFYTVNK-WJTDDFOZSA-N
MW371.46 g/mol
LogP5.68
Rot. Bonds4

About CID 11036068

CID 11036068 (PubChem CID 11036068) has the molecular formula C24H23N2O2 and a molecular weight of 371.46 g/mol.

Molecular Properties

Compound NameCID 11036068
PubChem CID11036068
Molecular FormulaC24H23N2O2
Molecular Weight371.46 g/mol
Exact Mass371.18
IUPAC Name—
SMILESCC(C)Oc1cccc2c1N([O])C(C)(c1ccccc1)/C2=N/c1ccccc1
InChIInChI=1S/C24H23N2O2/c1-17(2)28-21-16-10-15-20-22(21)26(27)24(3,18-11-6-4-7-12-18)23(20)25-19-13-8-5-9-14-19/h4-17H,1-3H3/b25-23+
InChIKeyRTHUGWSFFYTVNK-WJTDDFOZSA-N
XLogP5.68
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11036068?
The IUPAC name of CID 11036068 (CID 11036068) is not available.
What is the SMILES notation for CID 11036068?
The canonical SMILES for CID 11036068 is CC(C)Oc1cccc2c1N([O])C(C)(c1ccccc1)/C2=N/c1ccccc1.
What is the InChIKey of CID 11036068?
The InChIKey is RTHUGWSFFYTVNK-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H23N2O2/c1-17(2)28-21-16-10-15-20-22(21)26(27)24(3,18-11-6-4-7-12-18)23(20)25-19-13-8-5-9-14-19/h4-17H,1-3H3/b25-23+.
What are the key properties of CID 11036068?
CID 11036068 has a molecular weight of 371.46 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11036068 is sourced from PubChem (CID 11036068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).