CID 123868470

C26H35NO2 — CID 123868470

IUPAC—
SMILESCC1C2C3OC(=O)C(CNCc4ccccc4)C3CCC3(CC3)C2CCC12CC2
InChIInChI=1S/C26H35NO2/c1-17-22-21(8-10-25(17)11-12-25)26(13-14-26)9-7-19-20(24(28)29-23(19)22)16-27-15-18-5-3-2-4-6-18/h2-6,17,19-23,27H,7-16H2,1H3
InChIKeyVQZKDCLAOVHSEX-UHFFFAOYSA-N
MW393.57 g/mol
LogP4.95
Rot. Bonds4

About CID 123868470

CID 123868470 (PubChem CID 123868470) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol.

Molecular Properties

Compound NameCID 123868470
PubChem CID123868470
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name—
SMILESCC1C2C3OC(=O)C(CNCc4ccccc4)C3CCC3(CC3)C2CCC12CC2
InChIInChI=1S/C26H35NO2/c1-17-22-21(8-10-25(17)11-12-25)26(13-14-26)9-7-19-20(24(28)29-23(19)22)16-27-15-18-5-3-2-4-6-18/h2-6,17,19-23,27H,7-16H2,1H3
InChIKeyVQZKDCLAOVHSEX-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 123868470?
The IUPAC name of CID 123868470 (CID 123868470) is not available.
What is the SMILES notation for CID 123868470?
The canonical SMILES for CID 123868470 is CC1C2C3OC(=O)C(CNCc4ccccc4)C3CCC3(CC3)C2CCC12CC2.
What is the InChIKey of CID 123868470?
The InChIKey is VQZKDCLAOVHSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-17-22-21(8-10-25(17)11-12-25)26(13-14-26)9-7-19-20(24(28)29-23(19)22)16-27-15-18-5-3-2-4-6-18/h2-6,17,19-23,27H,7-16H2,1H3.
What are the key properties of CID 123868470?
CID 123868470 has a molecular weight of 393.57 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123868470 is sourced from PubChem (CID 123868470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).