CID 70523740

C15H20N2NaO3 — CID 70523740

IUPAC—
SMILESO=C(O)CCCCCCCn1c(=O)[nH]c2ccccc21.[Na]
InChIInChI=1S/C15H20N2O3.Na/c18-14(19)10-4-2-1-3-7-11-17-13-9-6-5-8-12(13)16-15(17)20;/h5-6,8-9H,1-4,7,10-11H2,(H,16,20)(H,18,19);
InChIKeyYIMSULJGILYCMG-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.37
Rot. Bonds8

About CID 70523740

CID 70523740 (PubChem CID 70523740) has the molecular formula C15H20N2NaO3 and a molecular weight of 299.33 g/mol.

Molecular Properties

Compound NameCID 70523740
PubChem CID70523740
Molecular FormulaC15H20N2NaO3
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name—
SMILESO=C(O)CCCCCCCn1c(=O)[nH]c2ccccc21.[Na]
InChIInChI=1S/C15H20N2O3.Na/c18-14(19)10-4-2-1-3-7-11-17-13-9-6-5-8-12(13)16-15(17)20;/h5-6,8-9H,1-4,7,10-11H2,(H,16,20)(H,18,19);
InChIKeyYIMSULJGILYCMG-UHFFFAOYSA-N
XLogP2.37
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 70523740?
The IUPAC name of CID 70523740 (CID 70523740) is not available.
What is the SMILES notation for CID 70523740?
The canonical SMILES for CID 70523740 is O=C(O)CCCCCCCn1c(=O)[nH]c2ccccc21.[Na].
What is the InChIKey of CID 70523740?
The InChIKey is YIMSULJGILYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.Na/c18-14(19)10-4-2-1-3-7-11-17-13-9-6-5-8-12(13)16-15(17)20;/h5-6,8-9H,1-4,7,10-11H2,(H,16,20)(H,18,19);.
What are the key properties of CID 70523740?
CID 70523740 has a molecular weight of 299.33 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70523740 is sourced from PubChem (CID 70523740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).