CID 102355634

C17H20NO — CID 102355634

IUPAC—
SMILESCC(C)(C)N([O])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyXIJMYJNXQTZKDR-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.22
Rot. Bonds3

About CID 102355634

CID 102355634 (PubChem CID 102355634) has the molecular formula C17H20NO and a molecular weight of 254.35 g/mol.

Molecular Properties

Compound NameCID 102355634
PubChem CID102355634
Molecular FormulaC17H20NO
Molecular Weight254.35 g/mol
Exact Mass254.15
IUPAC Name—
SMILESCC(C)(C)N([O])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyXIJMYJNXQTZKDR-UHFFFAOYSA-N
XLogP4.22
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 102355634?
The IUPAC name of CID 102355634 (CID 102355634) is not available.
What is the SMILES notation for CID 102355634?
The canonical SMILES for CID 102355634 is CC(C)(C)N([O])C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 102355634?
The InChIKey is XIJMYJNXQTZKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3.
What are the key properties of CID 102355634?
CID 102355634 has a molecular weight of 254.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102355634 is sourced from PubChem (CID 102355634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).