1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol

C22H33ClN2O2 — CID 54542095

IUPAC1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC(O)CON=C1CCCCC1=Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C22H33ClN2O2/c1-16(2)25(17(3)4)14-21(26)15-27-24-22-8-6-5-7-19(22)13-18-9-11-20(23)12-10-18/h9-13,16-17,21,26H,5-8,14-15H2,1-4H3
InChIKeyZDYAPXPCVXXBJV-UHFFFAOYSA-N
MW392.97 g/mol
LogP5.15
Rot. Bonds8

About 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol

1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol (PubChem CID 54542095) has the molecular formula C22H33ClN2O2 and a molecular weight of 392.97 g/mol. Its IUPAC name is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
PubChem CID54542095
Molecular FormulaC22H33ClN2O2
Molecular Weight392.97 g/mol
Exact Mass392.22
IUPAC Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC(O)CON=C1CCCCC1=Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C22H33ClN2O2/c1-16(2)25(17(3)4)14-21(26)15-27-24-22-8-6-5-7-19(22)13-18-9-11-20(23)12-10-18/h9-13,16-17,21,26H,5-8,14-15H2,1-4H3
InChIKeyZDYAPXPCVXXBJV-UHFFFAOYSA-N
XLogP5.15
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.97
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol (CID 54542095) is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol is CC(C)N(CC(O)CON=C1CCCCC1=Cc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
The InChIKey is ZDYAPXPCVXXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O2/c1-16(2)25(17(3)4)14-21(26)15-27-24-22-8-6-5-7-19(22)13-18-9-11-20(23)12-10-18/h9-13,16-17,21,26H,5-8,14-15H2,1-4H3.
What are the key properties of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol has a molecular weight of 392.97 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 54542095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).