CID 46927171

C23H29N3O2 — CID 46927171

IUPAC—
SMILESCCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H29N3O2/c1-3-27-19-10-12-22(13-11-19)15-18-9-8-17(7-6-16-4-5-16)14-20(18)23(22)25-21(24)26(2)28-23/h8-9,14,16,19H,3-5,10-13,15H2,1-2H3,(H2,24,25)
InChIKeyURORQPMTQDJIPF-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.31
Rot. Bonds2

About CID 46927171

CID 46927171 (PubChem CID 46927171) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol.

Molecular Properties

Compound NameCID 46927171
PubChem CID46927171
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name—
SMILESCCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H29N3O2/c1-3-27-19-10-12-22(13-11-19)15-18-9-8-17(7-6-16-4-5-16)14-20(18)23(22)25-21(24)26(2)28-23/h8-9,14,16,19H,3-5,10-13,15H2,1-2H3,(H2,24,25)
InChIKeyURORQPMTQDJIPF-UHFFFAOYSA-N
XLogP3.31
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 46927171 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 46927171?
The IUPAC name of CID 46927171 (CID 46927171) is not available.
What is the SMILES notation for CID 46927171?
The canonical SMILES for CID 46927171 is CCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 46927171?
The InChIKey is URORQPMTQDJIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-27-19-10-12-22(13-11-19)15-18-9-8-17(7-6-16-4-5-16)14-20(18)23(22)25-21(24)26(2)28-23/h8-9,14,16,19H,3-5,10-13,15H2,1-2H3,(H2,24,25).
What are the key properties of CID 46927171?
CID 46927171 has a molecular weight of 379.50 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46927171 is sourced from PubChem (CID 46927171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).