CID 90287656

C23H28N2O2 — CID 90287656

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21C=C(N)N(C)O1
InChIInChI=1S/C23H28N2O2/c1-25-21(24)15-23(27-25)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(26-2)10-12-22/h7-8,13,15-16,19H,3-4,9-12,14,24H2,1-2H3
InChIKeyZDSBZIIUGHFAOZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.45
Rot. Bonds1

About CID 90287656

CID 90287656 (PubChem CID 90287656) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol.

Molecular Properties

Compound NameCID 90287656
PubChem CID90287656
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21C=C(N)N(C)O1
InChIInChI=1S/C23H28N2O2/c1-25-21(24)15-23(27-25)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(26-2)10-12-22/h7-8,13,15-16,19H,3-4,9-12,14,24H2,1-2H3
InChIKeyZDSBZIIUGHFAOZ-UHFFFAOYSA-N
XLogP3.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90287656?
The IUPAC name of CID 90287656 (CID 90287656) is not available.
What is the SMILES notation for CID 90287656?
The canonical SMILES for CID 90287656 is COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21C=C(N)N(C)O1.
What is the InChIKey of CID 90287656?
The InChIKey is ZDSBZIIUGHFAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-25-21(24)15-23(27-25)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(26-2)10-12-22/h7-8,13,15-16,19H,3-4,9-12,14,24H2,1-2H3.
What are the key properties of CID 90287656?
CID 90287656 has a molecular weight of 364.49 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90287656 is sourced from PubChem (CID 90287656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).