(2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol

C21H28N2O2 — CID 5338013

IUPAC(2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol
SMILESCCN(CC)CCC/C(=N\O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-23(4-2)17-11-16-20(22-25)21(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,24-25H,3-4,11,16-17H2,1-2H3/b22-20+
InChIKeyZELQRYJJSMLNTJ-LSDHQDQOSA-N
MW340.47 g/mol
LogP3.87
Rot. Bonds9

About (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol

(2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol (PubChem CID 5338013) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol.

Molecular Properties

Compound Name(2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol
PubChem CID5338013
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol
SMILESCCN(CC)CCC/C(=N\O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-23(4-2)17-11-16-20(22-25)21(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,24-25H,3-4,11,16-17H2,1-2H3/b22-20+
InChIKeyZELQRYJJSMLNTJ-LSDHQDQOSA-N
XLogP3.87
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol?
The IUPAC name of (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol (CID 5338013) is (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol.
What is the SMILES notation for (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol?
The canonical SMILES for (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol is CCN(CC)CCC/C(=N\O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol?
The InChIKey is ZELQRYJJSMLNTJ-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-23(4-2)17-11-16-20(22-25)21(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,24-25H,3-4,11,16-17H2,1-2H3/b22-20+.
What are the key properties of (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol?
(2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol has a molecular weight of 340.47 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-(diethylamino)-2-hydroxyimino-1,1-diphenylpentan-1-ol is sourced from PubChem (CID 5338013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).