CID 23628823

C22H24BNOP — CID 23628823

IUPAC—
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CP(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C22H24NOP.B/c23-21(16-18-10-4-1-5-11-18)22(24)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21-22,24H,16-17,23H2;/t21-,22+;/m0./s1
InChIKeyUYHDKZFOEAWDIT-UMIAIAFLSA-N
MW360.23 g/mol
LogP2.67
Rot. Bonds7

About CID 23628823

CID 23628823 (PubChem CID 23628823) has the molecular formula C22H24BNOP and a molecular weight of 360.23 g/mol.

Molecular Properties

Compound NameCID 23628823
PubChem CID23628823
Molecular FormulaC22H24BNOP
Molecular Weight360.23 g/mol
Exact Mass360.17
IUPAC Name—
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CP(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C22H24NOP.B/c23-21(16-18-10-4-1-5-11-18)22(24)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21-22,24H,16-17,23H2;/t21-,22+;/m0./s1
InChIKeyUYHDKZFOEAWDIT-UMIAIAFLSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 23628823 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 23628823?
The IUPAC name of CID 23628823 (CID 23628823) is not available.
What is the SMILES notation for CID 23628823?
The canonical SMILES for CID 23628823 is N[C@@H](Cc1ccccc1)[C@H](O)CP(c1ccccc1)c1ccccc1.[B].
What is the InChIKey of CID 23628823?
The InChIKey is UYHDKZFOEAWDIT-UMIAIAFLSA-N. The full InChI is InChI=1S/C22H24NOP.B/c23-21(16-18-10-4-1-5-11-18)22(24)17-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21-22,24H,16-17,23H2;/t21-,22+;/m0./s1.
What are the key properties of CID 23628823?
CID 23628823 has a molecular weight of 360.23 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23628823 is sourced from PubChem (CID 23628823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).