(2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol

C21H30N2O3 — CID 57143156

IUPAC(2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CONC1=CCCCCC1=Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C21H30N2O3/c24-20(16-23-11-13-25-14-12-23)17-26-22-21-10-6-2-5-9-19(21)15-18-7-3-1-4-8-18/h1,3-4,7-8,10,15,20,22,24H,2,5-6,9,11-14,16-17H2/t20-/m0/s1
InChIKeyGHGVMIRZPMJSIG-FQEVSTJZSA-N
MW358.48 g/mol
LogP2.74
Rot. Bonds7

About (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol

(2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 57143156) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID57143156
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CONC1=CCCCCC1=Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C21H30N2O3/c24-20(16-23-11-13-25-14-12-23)17-26-22-21-10-6-2-5-9-19(21)15-18-7-3-1-4-8-18/h1,3-4,7-8,10,15,20,22,24H,2,5-6,9,11-14,16-17H2/t20-/m0/s1
InChIKeyGHGVMIRZPMJSIG-FQEVSTJZSA-N
XLogP2.74
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
CID 57066574
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol (CID 57143156) is (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol is O[C@H](CONC1=CCCCCC1=Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GHGVMIRZPMJSIG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20(16-23-11-13-25-14-12-23)17-26-22-21-10-6-2-5-9-19(21)15-18-7-3-1-4-8-18/h1,3-4,7-8,10,15,20,22,24H,2,5-6,9,11-14,16-17H2/t20-/m0/s1.
What are the key properties of (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 358.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(7-benzylidenecyclohepten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 57143156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).