CID 123856719

C23H28N2O2 — CID 123856719

IUPAC—
SMILES[H]/N=C1/CC2(ON1C)c1cc(C#CC3CC3)ccc1CC21CCC(OC)CC1
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/h7-8,13,16,19,24H,3-4,9-12,14-15H2,1-2H3/b24-21-
InChIKeyVYJGOPBHBHWFKE-FLFQWRMESA-N
MW364.49 g/mol
LogP4.02
Rot. Bonds1

About CID 123856719

CID 123856719 (PubChem CID 123856719) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol.

Molecular Properties

Compound NameCID 123856719
PubChem CID123856719
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name—
SMILES[H]/N=C1/CC2(ON1C)c1cc(C#CC3CC3)ccc1CC21CCC(OC)CC1
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/h7-8,13,16,19,24H,3-4,9-12,14-15H2,1-2H3/b24-21-
InChIKeyVYJGOPBHBHWFKE-FLFQWRMESA-N
XLogP4.02
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 123856719?
The IUPAC name of CID 123856719 (CID 123856719) is not available.
What is the SMILES notation for CID 123856719?
The canonical SMILES for CID 123856719 is [H]/N=C1/CC2(ON1C)c1cc(C#CC3CC3)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 123856719?
The InChIKey is VYJGOPBHBHWFKE-FLFQWRMESA-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/h7-8,13,16,19,24H,3-4,9-12,14-15H2,1-2H3/b24-21-.
What are the key properties of CID 123856719?
CID 123856719 has a molecular weight of 364.49 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123856719 is sourced from PubChem (CID 123856719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).