CID 58520720

C16H16N2O3 — CID 58520720

IUPAC—
SMILESCNC(=O)[CH][CH][CH][CH][CH][CH][CH][CH][CH][CH]N1C(=O)C=CC1=O
InChIInChI=1S/C16H16N2O3/c1-17-14(19)10-8-6-4-2-3-5-7-9-13-18-15(20)11-12-16(18)21/h2-13H,1H3,(H,17,19)
InChIKeyQSZYUNKYSVEBPS-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.66
Rot. Bonds11

About CID 58520720

CID 58520720 (PubChem CID 58520720) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol.

Molecular Properties

Compound NameCID 58520720
PubChem CID58520720
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name—
SMILESCNC(=O)[CH][CH][CH][CH][CH][CH][CH][CH][CH][CH]N1C(=O)C=CC1=O
InChIInChI=1S/C16H16N2O3/c1-17-14(19)10-8-6-4-2-3-5-7-9-13-18-15(20)11-12-16(18)21/h2-13H,1H3,(H,17,19)
InChIKeyQSZYUNKYSVEBPS-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58520720?
The IUPAC name of CID 58520720 (CID 58520720) is not available.
What is the SMILES notation for CID 58520720?
The canonical SMILES for CID 58520720 is CNC(=O)[CH][CH][CH][CH][CH][CH][CH][CH][CH][CH]N1C(=O)C=CC1=O.
What is the InChIKey of CID 58520720?
The InChIKey is QSZYUNKYSVEBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-14(19)10-8-6-4-2-3-5-7-9-13-18-15(20)11-12-16(18)21/h2-13H,1H3,(H,17,19).
What are the key properties of CID 58520720?
CID 58520720 has a molecular weight of 284.32 g/mol, XLogP of 0.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58520720 is sourced from PubChem (CID 58520720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).