5-(1,2-diphenylethenylamino)oxynonan-2-ol

C23H31NO2 — CID 57086106

IUPAC5-(1,2-diphenylethenylamino)oxynonan-2-ol
SMILESCCCCC(CCC(C)O)ONC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-3-4-15-22(17-16-19(2)25)26-24-23(21-13-9-6-10-14-21)18-20-11-7-5-8-12-20/h5-14,18-19,22,24-25H,3-4,15-17H2,1-2H3
InChIKeyAHQKPCXMBNVERM-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.43
Rot. Bonds11

About 5-(1,2-diphenylethenylamino)oxynonan-2-ol

5-(1,2-diphenylethenylamino)oxynonan-2-ol (PubChem CID 57086106) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 5-(1,2-diphenylethenylamino)oxynonan-2-ol.

Molecular Properties

Compound Name5-(1,2-diphenylethenylamino)oxynonan-2-ol
PubChem CID57086106
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name5-(1,2-diphenylethenylamino)oxynonan-2-ol
SMILESCCCCC(CCC(C)O)ONC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-3-4-15-22(17-16-19(2)25)26-24-23(21-13-9-6-10-14-21)18-20-11-7-5-8-12-20/h5-14,18-19,22,24-25H,3-4,15-17H2,1-2H3
InChIKeyAHQKPCXMBNVERM-UHFFFAOYSA-N
XLogP5.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-anilinooxy-3-phenylpropan-1-ol
CID 11218759
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
3-(3-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91104820
(Z)-1,2-diphenyl-N-(1-phenylbutoxy)ethenamine
CID 134883620
1-phenyl-N-(1-phenylbutoxy)ethenamine
CID 134883649
5-methyl-3,4-diphenyl-2H-1,2-oxazol-5-ol
CID 17879111
1,1-Diamino-1,6-diphenylhexan-3-ol
CID 22376004
2-Anilinooxy-3-phenylpropan-1-ol
CID 23124517
1-[1-(4-Phenylphenyl)ethenylamino]oxyethanol
CID 57183676
2-[1-(4-Phenylphenyl)ethenylamino]oxyethanol
CID 57184064
5-[2-[(2-Methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol
CID 57202803
2-[1-[4-(4-Methylphenyl)phenyl]ethenylamino]oxyethanol
CID 57280057

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-diphenylethenylamino)oxynonan-2-ol?
The IUPAC name of 5-(1,2-diphenylethenylamino)oxynonan-2-ol (CID 57086106) is 5-(1,2-diphenylethenylamino)oxynonan-2-ol.
What is the SMILES notation for 5-(1,2-diphenylethenylamino)oxynonan-2-ol?
The canonical SMILES for 5-(1,2-diphenylethenylamino)oxynonan-2-ol is CCCCC(CCC(C)O)ONC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 5-(1,2-diphenylethenylamino)oxynonan-2-ol?
The InChIKey is AHQKPCXMBNVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-3-4-15-22(17-16-19(2)25)26-24-23(21-13-9-6-10-14-21)18-20-11-7-5-8-12-20/h5-14,18-19,22,24-25H,3-4,15-17H2,1-2H3.
What are the key properties of 5-(1,2-diphenylethenylamino)oxynonan-2-ol?
5-(1,2-diphenylethenylamino)oxynonan-2-ol has a molecular weight of 353.51 g/mol, XLogP of 5.43, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-diphenylethenylamino)oxynonan-2-ol is sourced from PubChem (CID 57086106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).