CID 24844231

C19H20N2NaO2 — CID 24844231

IUPAC—
SMILESCC(C)CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.[Na]
InChIInChI=1S/C19H20N2O2.Na/c1-14(2)13-17-18(22)20(15-9-5-3-6-10-15)21(19(17)23)16-11-7-4-8-12-16;/h3-12,14,17H,13H2,1-2H3;
InChIKeyPASSCHFMKAOCEO-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.26
Rot. Bonds4

About CID 24844231

CID 24844231 (PubChem CID 24844231) has the molecular formula C19H20N2NaO2 and a molecular weight of 331.37 g/mol.

Molecular Properties

Compound NameCID 24844231
PubChem CID24844231
Molecular FormulaC19H20N2NaO2
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name—
SMILESCC(C)CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.[Na]
InChIInChI=1S/C19H20N2O2.Na/c1-14(2)13-17-18(22)20(15-9-5-3-6-10-15)21(19(17)23)16-11-7-4-8-12-16;/h3-12,14,17H,13H2,1-2H3;
InChIKeyPASSCHFMKAOCEO-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 24844231?
The IUPAC name of CID 24844231 (CID 24844231) is not available.
What is the SMILES notation for CID 24844231?
The canonical SMILES for CID 24844231 is CC(C)CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.[Na].
What is the InChIKey of CID 24844231?
The InChIKey is PASSCHFMKAOCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.Na/c1-14(2)13-17-18(22)20(15-9-5-3-6-10-15)21(19(17)23)16-11-7-4-8-12-16;/h3-12,14,17H,13H2,1-2H3;.
What are the key properties of CID 24844231?
CID 24844231 has a molecular weight of 331.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24844231 is sourced from PubChem (CID 24844231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).