CID 58197992

C23H26N2O3 — CID 58197992

IUPAC—
SMILESCCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21NC(=O)NC1=O
InChIInChI=1S/C23H26N2O3/c1-2-28-18-9-11-22(12-10-18)14-17-8-7-16(6-5-15-3-4-15)13-19(17)23(22)20(26)24-21(27)25-23/h7-8,13,15,18H,2-4,9-12,14H2,1H3,(H2,24,25,26,27)
InChIKeyXULXQNZVJBAPFG-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.00
Rot. Bonds2

About CID 58197992

CID 58197992 (PubChem CID 58197992) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol.

Molecular Properties

Compound NameCID 58197992
PubChem CID58197992
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name—
SMILESCCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21NC(=O)NC1=O
InChIInChI=1S/C23H26N2O3/c1-2-28-18-9-11-22(12-10-18)14-17-8-7-16(6-5-15-3-4-15)13-19(17)23(22)20(26)24-21(27)25-23/h7-8,13,15,18H,2-4,9-12,14H2,1H3,(H2,24,25,26,27)
InChIKeyXULXQNZVJBAPFG-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58197992?
The IUPAC name of CID 58197992 (CID 58197992) is not available.
What is the SMILES notation for CID 58197992?
The canonical SMILES for CID 58197992 is CCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21NC(=O)NC1=O.
What is the InChIKey of CID 58197992?
The InChIKey is XULXQNZVJBAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-28-18-9-11-22(12-10-18)14-17-8-7-16(6-5-15-3-4-15)13-19(17)23(22)20(26)24-21(27)25-23/h7-8,13,15,18H,2-4,9-12,14H2,1H3,(H2,24,25,26,27).
What are the key properties of CID 58197992?
CID 58197992 has a molecular weight of 378.47 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197992 is sourced from PubChem (CID 58197992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).