CID 154720908

C19H25NO2 — CID 154720908

IUPAC—
SMILESC=C[C@@H]1CC2(COC(C)(C)OC2)C[C@@]12CNc1ccccc12
InChIInChI=1S/C19H25NO2/c1-4-14-9-18(12-21-17(2,3)22-13-18)10-19(14)11-20-16-8-6-5-7-15(16)19/h4-8,14,20H,1,9-13H2,2-3H3/t14-,19-/m1/s1
InChIKeyAHXJHPHFZASIAD-AUUYWEPGSA-N
MW299.41 g/mol
LogP3.72
Rot. Bonds1

About CID 154720908

CID 154720908 (PubChem CID 154720908) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol.

Molecular Properties

Compound NameCID 154720908
PubChem CID154720908
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name—
SMILESC=C[C@@H]1CC2(COC(C)(C)OC2)C[C@@]12CNc1ccccc12
InChIInChI=1S/C19H25NO2/c1-4-14-9-18(12-21-17(2,3)22-13-18)10-19(14)11-20-16-8-6-5-7-15(16)19/h4-8,14,20H,1,9-13H2,2-3H3/t14-,19-/m1/s1
InChIKeyAHXJHPHFZASIAD-AUUYWEPGSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154720908?
The IUPAC name of CID 154720908 (CID 154720908) is not available.
What is the SMILES notation for CID 154720908?
The canonical SMILES for CID 154720908 is C=C[C@@H]1CC2(COC(C)(C)OC2)C[C@@]12CNc1ccccc12.
What is the InChIKey of CID 154720908?
The InChIKey is AHXJHPHFZASIAD-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-14-9-18(12-21-17(2,3)22-13-18)10-19(14)11-20-16-8-6-5-7-15(16)19/h4-8,14,20H,1,9-13H2,2-3H3/t14-,19-/m1/s1.
What are the key properties of CID 154720908?
CID 154720908 has a molecular weight of 299.41 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154720908 is sourced from PubChem (CID 154720908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).