CID 58198326

C24H31N3O2 — CID 58198326

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C#CC3CCCC3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H31N3O2/c1-27-22(25)26-24(29-27)21-15-18(8-7-17-5-3-4-6-17)9-10-19(21)16-23(24)13-11-20(28-2)12-14-23/h9-10,15,17,20H,3-6,11-14,16H2,1-2H3,(H2,25,26)
InChIKeyFORXEMDGDAHICU-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.70
Rot. Bonds1

About CID 58198326

CID 58198326 (PubChem CID 58198326) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol.

Molecular Properties

Compound NameCID 58198326
PubChem CID58198326
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C#CC3CCCC3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C24H31N3O2/c1-27-22(25)26-24(29-27)21-15-18(8-7-17-5-3-4-6-17)9-10-19(21)16-23(24)13-11-20(28-2)12-14-23/h9-10,15,17,20H,3-6,11-14,16H2,1-2H3,(H2,25,26)
InChIKeyFORXEMDGDAHICU-UHFFFAOYSA-N
XLogP3.70
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 58198326?
The IUPAC name of CID 58198326 (CID 58198326) is not available.
What is the SMILES notation for CID 58198326?
The canonical SMILES for CID 58198326 is COC1CCC2(CC1)Cc1ccc(C#CC3CCCC3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58198326?
The InChIKey is FORXEMDGDAHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-27-22(25)26-24(29-27)21-15-18(8-7-17-5-3-4-6-17)9-10-19(21)16-23(24)13-11-20(28-2)12-14-23/h9-10,15,17,20H,3-6,11-14,16H2,1-2H3,(H2,25,26).
What are the key properties of CID 58198326?
CID 58198326 has a molecular weight of 393.53 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58198326 is sourced from PubChem (CID 58198326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).