CID 11082205

C26H30N2OP — CID 11082205

IUPAC—
SMILESCOC[C@@H]1CCCN1/N=C(/[C]1[CH][CH][CH][CH]1)[C@@H](C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2OP/c1-21(30(24-15-5-3-6-16-24)25-17-7-4-8-18-25)26(22-12-9-10-13-22)27-28-19-11-14-23(28)20-29-2/h3-10,12-13,15-18,21,23H,11,14,19-20H2,1-2H3/b27-26+/t21-,23+/m1/s1
InChIKeyGWSQTKCTYJYRCZ-WXEDNSSWSA-N
MW417.51 g/mol
LogP4.38
Rot. Bonds8

About CID 11082205

CID 11082205 (PubChem CID 11082205) has the molecular formula C26H30N2OP and a molecular weight of 417.51 g/mol.

Molecular Properties

Compound NameCID 11082205
PubChem CID11082205
Molecular FormulaC26H30N2OP
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name—
SMILESCOC[C@@H]1CCCN1/N=C(/[C]1[CH][CH][CH][CH]1)[C@@H](C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2OP/c1-21(30(24-15-5-3-6-16-24)25-17-7-4-8-18-25)26(22-12-9-10-13-22)27-28-19-11-14-23(28)20-29-2/h3-10,12-13,15-18,21,23H,11,14,19-20H2,1-2H3/b27-26+/t21-,23+/m1/s1
InChIKeyGWSQTKCTYJYRCZ-WXEDNSSWSA-N
XLogP4.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11082205?
The IUPAC name of CID 11082205 (CID 11082205) is not available.
What is the SMILES notation for CID 11082205?
The canonical SMILES for CID 11082205 is COC[C@@H]1CCCN1/N=C(/[C]1[CH][CH][CH][CH]1)[C@@H](C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 11082205?
The InChIKey is GWSQTKCTYJYRCZ-WXEDNSSWSA-N. The full InChI is InChI=1S/C26H30N2OP/c1-21(30(24-15-5-3-6-16-24)25-17-7-4-8-18-25)26(22-12-9-10-13-22)27-28-19-11-14-23(28)20-29-2/h3-10,12-13,15-18,21,23H,11,14,19-20H2,1-2H3/b27-26+/t21-,23+/m1/s1.
What are the key properties of CID 11082205?
CID 11082205 has a molecular weight of 417.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11082205 is sourced from PubChem (CID 11082205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).