CID 11739594

C22H24NO3 — CID 11739594

IUPAC—
SMILESCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)N([O])C3(C)C)cc1
InChIInChI=1S/C22H24NO3/c1-21(2)18-13-10-16(14-19(18)22(3,4)23(21)25)7-6-15-8-11-17(12-9-15)20(24)26-5/h6-14H,1-5H3/b7-6+
InChIKeyASBNOKMCUBVRHX-VOTSOKGWSA-N
MW350.44 g/mol
LogP4.77
Rot. Bonds3

About CID 11739594

CID 11739594 (PubChem CID 11739594) has the molecular formula C22H24NO3 and a molecular weight of 350.44 g/mol.

Molecular Properties

Compound NameCID 11739594
PubChem CID11739594
Molecular FormulaC22H24NO3
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name—
SMILESCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)N([O])C3(C)C)cc1
InChIInChI=1S/C22H24NO3/c1-21(2)18-13-10-16(14-19(18)22(3,4)23(21)25)7-6-15-8-11-17(12-9-15)20(24)26-5/h6-14H,1-5H3/b7-6+
InChIKeyASBNOKMCUBVRHX-VOTSOKGWSA-N
XLogP4.77
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11739594?
The IUPAC name of CID 11739594 (CID 11739594) is not available.
What is the SMILES notation for CID 11739594?
The canonical SMILES for CID 11739594 is COC(=O)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)N([O])C3(C)C)cc1.
What is the InChIKey of CID 11739594?
The InChIKey is ASBNOKMCUBVRHX-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H24NO3/c1-21(2)18-13-10-16(14-19(18)22(3,4)23(21)25)7-6-15-8-11-17(12-9-15)20(24)26-5/h6-14H,1-5H3/b7-6+.
What are the key properties of CID 11739594?
CID 11739594 has a molecular weight of 350.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11739594 is sourced from PubChem (CID 11739594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).