CID 132539326

C18H26N3O — CID 132539326

IUPAC—
SMILESCc1cccc(C)c1N=C=NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C18H26N3O/c1-13-8-7-9-14(2)16(13)20-12-19-15-10-17(3,4)21(22)18(5,6)11-15/h7-9,15H,10-11H2,1-6H3
InChIKeyOASWRDGRCJVPKZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.48
Rot. Bonds2

About CID 132539326

CID 132539326 (PubChem CID 132539326) has the molecular formula C18H26N3O and a molecular weight of 300.43 g/mol.

Molecular Properties

Compound NameCID 132539326
PubChem CID132539326
Molecular FormulaC18H26N3O
Molecular Weight300.43 g/mol
Exact Mass300.21
IUPAC Name—
SMILESCc1cccc(C)c1N=C=NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C18H26N3O/c1-13-8-7-9-14(2)16(13)20-12-19-15-10-17(3,4)21(22)18(5,6)11-15/h7-9,15H,10-11H2,1-6H3
InChIKeyOASWRDGRCJVPKZ-UHFFFAOYSA-N
XLogP4.48
TPSA47.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 132539326?
The IUPAC name of CID 132539326 (CID 132539326) is not available.
What is the SMILES notation for CID 132539326?
The canonical SMILES for CID 132539326 is Cc1cccc(C)c1N=C=NC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 132539326?
The InChIKey is OASWRDGRCJVPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N3O/c1-13-8-7-9-14(2)16(13)20-12-19-15-10-17(3,4)21(22)18(5,6)11-15/h7-9,15H,10-11H2,1-6H3.
What are the key properties of CID 132539326?
CID 132539326 has a molecular weight of 300.43 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132539326 is sourced from PubChem (CID 132539326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).