CID 58197516

C18H22N2O3 — CID 58197516

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C)cc1C21NC(=O)NC1=O
InChIInChI=1S/C18H22N2O3/c1-11-3-4-12-10-17(7-5-13(23-2)6-8-17)18(14(12)9-11)15(21)19-16(22)20-18/h3-4,9,13H,5-8,10H2,1-2H3,(H2,19,20,21,22)
InChIKeySSQSBBAZQGDABS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.16
Rot. Bonds1

About CID 58197516

CID 58197516 (PubChem CID 58197516) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol.

Molecular Properties

Compound NameCID 58197516
PubChem CID58197516
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C)cc1C21NC(=O)NC1=O
InChIInChI=1S/C18H22N2O3/c1-11-3-4-12-10-17(7-5-13(23-2)6-8-17)18(14(12)9-11)15(21)19-16(22)20-18/h3-4,9,13H,5-8,10H2,1-2H3,(H2,19,20,21,22)
InChIKeySSQSBBAZQGDABS-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58197516?
The IUPAC name of CID 58197516 (CID 58197516) is not available.
What is the SMILES notation for CID 58197516?
The canonical SMILES for CID 58197516 is COC1CCC2(CC1)Cc1ccc(C)cc1C21NC(=O)NC1=O.
What is the InChIKey of CID 58197516?
The InChIKey is SSQSBBAZQGDABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-3-4-12-10-17(7-5-13(23-2)6-8-17)18(14(12)9-11)15(21)19-16(22)20-18/h3-4,9,13H,5-8,10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of CID 58197516?
CID 58197516 has a molecular weight of 314.39 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197516 is sourced from PubChem (CID 58197516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).