CID 46854866

C23H23N3O3 — CID 46854866

IUPAC—
SMILESCc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1
InChIInChI=1S/C23H23N3O3/c1-14-8-10-15(11-9-14)17-13-25(2)23(22(17)12-19(27)26(3)21(22)29)16-6-4-5-7-18(16)24-20(23)28/h4-11,17H,12-13H2,1-3H3,(H,24,28)/t17-,22+,23+/m1/s1
InChIKeyJXJFTQFQUXWGRI-VSDWSMLSSA-N
MW389.46 g/mol
LogP2.25
Rot. Bonds1

About CID 46854866

CID 46854866 (PubChem CID 46854866) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol.

Molecular Properties

Compound NameCID 46854866
PubChem CID46854866
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name—
SMILESCc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1
InChIInChI=1S/C23H23N3O3/c1-14-8-10-15(11-9-14)17-13-25(2)23(22(17)12-19(27)26(3)21(22)29)16-6-4-5-7-18(16)24-20(23)28/h4-11,17H,12-13H2,1-3H3,(H,24,28)/t17-,22+,23+/m1/s1
InChIKeyJXJFTQFQUXWGRI-VSDWSMLSSA-N
XLogP2.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 46854866?
The IUPAC name of CID 46854866 (CID 46854866) is not available.
What is the SMILES notation for CID 46854866?
The canonical SMILES for CID 46854866 is Cc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1.
What is the InChIKey of CID 46854866?
The InChIKey is JXJFTQFQUXWGRI-VSDWSMLSSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-8-10-15(11-9-14)17-13-25(2)23(22(17)12-19(27)26(3)21(22)29)16-6-4-5-7-18(16)24-20(23)28/h4-11,17H,12-13H2,1-3H3,(H,24,28)/t17-,22+,23+/m1/s1.
What are the key properties of CID 46854866?
CID 46854866 has a molecular weight of 389.46 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46854866 is sourced from PubChem (CID 46854866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).