CID 102532713

C21H26NO2 — CID 102532713

IUPAC—
SMILESCC(=O)c1ccccc1CC(c1cccc(C)c1)N([O])C(C)(C)C
InChIInChI=1S/C21H26NO2/c1-15-9-8-11-18(13-15)20(22(24)21(3,4)5)14-17-10-6-7-12-19(17)16(2)23/h6-13,20H,14H2,1-5H3
InChIKeyZYBRLDPOGRBQCP-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.93
Rot. Bonds5

About CID 102532713

CID 102532713 (PubChem CID 102532713) has the molecular formula C21H26NO2 and a molecular weight of 324.44 g/mol.

Molecular Properties

Compound NameCID 102532713
PubChem CID102532713
Molecular FormulaC21H26NO2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name—
SMILESCC(=O)c1ccccc1CC(c1cccc(C)c1)N([O])C(C)(C)C
InChIInChI=1S/C21H26NO2/c1-15-9-8-11-18(13-15)20(22(24)21(3,4)5)14-17-10-6-7-12-19(17)16(2)23/h6-13,20H,14H2,1-5H3
InChIKeyZYBRLDPOGRBQCP-UHFFFAOYSA-N
XLogP4.93
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 102532713?
The IUPAC name of CID 102532713 (CID 102532713) is not available.
What is the SMILES notation for CID 102532713?
The canonical SMILES for CID 102532713 is CC(=O)c1ccccc1CC(c1cccc(C)c1)N([O])C(C)(C)C.
What is the InChIKey of CID 102532713?
The InChIKey is ZYBRLDPOGRBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26NO2/c1-15-9-8-11-18(13-15)20(22(24)21(3,4)5)14-17-10-6-7-12-19(17)16(2)23/h6-13,20H,14H2,1-5H3.
What are the key properties of CID 102532713?
CID 102532713 has a molecular weight of 324.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102532713 is sourced from PubChem (CID 102532713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).