CID 101100305

C24H25NO — CID 101100305

IUPAC—
SMILESCN1c2ccccc2C2(OC23C2CC4CC(C2)CC3C4)c2ccccc21
InChIInChI=1S/C24H25NO/c1-25-21-8-4-2-6-19(21)24(20-7-3-5-9-22(20)25)23(26-24)17-11-15-10-16(13-17)14-18(23)12-15/h2-9,15-18H,10-14H2,1H3
InChIKeyUTJXTWDVPMAADY-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.24
Rot. Bonds

About CID 101100305

CID 101100305 (PubChem CID 101100305) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol.

Molecular Properties

Compound NameCID 101100305
PubChem CID101100305
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name—
SMILESCN1c2ccccc2C2(OC23C2CC4CC(C2)CC3C4)c2ccccc21
InChIInChI=1S/C24H25NO/c1-25-21-8-4-2-6-19(21)24(20-7-3-5-9-22(20)25)23(26-24)17-11-15-10-16(13-17)14-18(23)12-15/h2-9,15-18H,10-14H2,1H3
InChIKeyUTJXTWDVPMAADY-UHFFFAOYSA-N
XLogP5.24
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101100305?
The IUPAC name of CID 101100305 (CID 101100305) is not available.
What is the SMILES notation for CID 101100305?
The canonical SMILES for CID 101100305 is CN1c2ccccc2C2(OC23C2CC4CC(C2)CC3C4)c2ccccc21.
What is the InChIKey of CID 101100305?
The InChIKey is UTJXTWDVPMAADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-25-21-8-4-2-6-19(21)24(20-7-3-5-9-22(20)25)23(26-24)17-11-15-10-16(13-17)14-18(23)12-15/h2-9,15-18H,10-14H2,1H3.
What are the key properties of CID 101100305?
CID 101100305 has a molecular weight of 343.47 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101100305 is sourced from PubChem (CID 101100305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).