CID 70411546

C20H19KNO4 — CID 70411546

IUPAC—
SMILESO=C(OCCN1CCCC1=O)c1cccc2c1Cc1ccccc1O2.[K]
InChIInChI=1S/C20H19NO4.K/c22-19-9-4-10-21(19)11-12-24-20(23)15-6-3-8-18-16(15)13-14-5-1-2-7-17(14)25-18;/h1-3,5-8H,4,9-13H2;
InChIKeyPDFHPXBIYTXKIQ-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.78
Rot. Bonds4

About CID 70411546

CID 70411546 (PubChem CID 70411546) has the molecular formula C20H19KNO4 and a molecular weight of 376.47 g/mol.

Molecular Properties

Compound NameCID 70411546
PubChem CID70411546
Molecular FormulaC20H19KNO4
Molecular Weight376.47 g/mol
Exact Mass376.10
IUPAC Name—
SMILESO=C(OCCN1CCCC1=O)c1cccc2c1Cc1ccccc1O2.[K]
InChIInChI=1S/C20H19NO4.K/c22-19-9-4-10-21(19)11-12-24-20(23)15-6-3-8-18-16(15)13-14-5-1-2-7-17(14)25-18;/h1-3,5-8H,4,9-13H2;
InChIKeyPDFHPXBIYTXKIQ-UHFFFAOYSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 70411546?
The IUPAC name of CID 70411546 (CID 70411546) is not available.
What is the SMILES notation for CID 70411546?
The canonical SMILES for CID 70411546 is O=C(OCCN1CCCC1=O)c1cccc2c1Cc1ccccc1O2.[K].
What is the InChIKey of CID 70411546?
The InChIKey is PDFHPXBIYTXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4.K/c22-19-9-4-10-21(19)11-12-24-20(23)15-6-3-8-18-16(15)13-14-5-1-2-7-17(14)25-18;/h1-3,5-8H,4,9-13H2;.
What are the key properties of CID 70411546?
CID 70411546 has a molecular weight of 376.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70411546 is sourced from PubChem (CID 70411546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).