CID 11732773

C19H23N2O2 — CID 11732773

IUPAC—
SMILESCCCCCCCCn1cc2cc([C]3[CH][CH][CH][CH]3)oc2nc1=O
InChIInChI=1S/C19H23N2O2/c1-2-3-4-5-6-9-12-21-14-16-13-17(15-10-7-8-11-15)23-18(16)20-19(21)22/h7-8,10-11,13-14H,2-6,9,12H2,1H3
InChIKeyPEQHXFSYEIZAKB-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.10
Rot. Bonds8

About CID 11732773

CID 11732773 (PubChem CID 11732773) has the molecular formula C19H23N2O2 and a molecular weight of 311.40 g/mol.

Molecular Properties

Compound NameCID 11732773
PubChem CID11732773
Molecular FormulaC19H23N2O2
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name—
SMILESCCCCCCCCn1cc2cc([C]3[CH][CH][CH][CH]3)oc2nc1=O
InChIInChI=1S/C19H23N2O2/c1-2-3-4-5-6-9-12-21-14-16-13-17(15-10-7-8-11-15)23-18(16)20-19(21)22/h7-8,10-11,13-14H,2-6,9,12H2,1H3
InChIKeyPEQHXFSYEIZAKB-UHFFFAOYSA-N
XLogP4.10
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11732773?
The IUPAC name of CID 11732773 (CID 11732773) is not available.
What is the SMILES notation for CID 11732773?
The canonical SMILES for CID 11732773 is CCCCCCCCn1cc2cc([C]3[CH][CH][CH][CH]3)oc2nc1=O.
What is the InChIKey of CID 11732773?
The InChIKey is PEQHXFSYEIZAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O2/c1-2-3-4-5-6-9-12-21-14-16-13-17(15-10-7-8-11-15)23-18(16)20-19(21)22/h7-8,10-11,13-14H,2-6,9,12H2,1H3.
What are the key properties of CID 11732773?
CID 11732773 has a molecular weight of 311.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11732773 is sourced from PubChem (CID 11732773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).