(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol

C22H32N2O3 — CID 57066574

IUPAC(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CONC1=CCCCCCC1=Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C22H32N2O3/c25-21(17-24-12-14-26-15-13-24)18-27-23-22-11-7-2-1-6-10-20(22)16-19-8-4-3-5-9-19/h3-5,8-9,11,16,21,23,25H,1-2,6-7,10,12-15,17-18H2/t21-/m0/s1
InChIKeyZFYZFELRTFTJDU-NRFANRHFSA-N
MW372.51 g/mol
LogP3.13
Rot. Bonds7

About (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol

(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 57066574) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID57066574
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CONC1=CCCCCCC1=Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C22H32N2O3/c25-21(17-24-12-14-26-15-13-24)18-27-23-22-11-7-2-1-6-10-20(22)16-19-8-4-3-5-9-19/h3-5,8-9,11,16,21,23,25H,1-2,6-7,10,12-15,17-18H2/t21-/m0/s1
InChIKeyZFYZFELRTFTJDU-NRFANRHFSA-N
XLogP3.13
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-(4-benzylpiperidin-1-yl)propan-2-ol
CID 56997237
1-[(6-Benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
CID 57008120
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 57048025
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-(tert-butylamino)propan-2-ol
CID 57064517
(1S,2R)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 57070557
(2S)-1-[(5-benzylidenecyclopenten-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
CID 57089043
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 57103808
(2R)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 57104824
(2S)-1-[(5-benzylidenecyclopenten-1-yl)amino]oxy-3-(tert-butylamino)propan-2-ol
CID 57115842
(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-(butylamino)propan-2-ol
CID 57122598
(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-(propan-2-ylamino)propan-2-ol
CID 57142299
(2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
CID 57143156

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol (CID 57066574) is (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol is O[C@H](CONC1=CCCCCCC1=Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ZFYZFELRTFTJDU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-21(17-24-12-14-26-15-13-24)18-27-23-22-11-7-2-1-6-10-20(22)16-19-8-4-3-5-9-19/h3-5,8-9,11,16,21,23,25H,1-2,6-7,10,12-15,17-18H2/t21-/m0/s1.
What are the key properties of (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 372.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 57066574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).