1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol

C20H31N3O5 — CID 118711357

IUPAC1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol
SMILESCOc1ccc(/C=N/OCC(O)CNN2CCOCC2)cc1OC1CCCC1
InChIInChI=1S/C20H31N3O5/c1-25-19-7-6-16(12-20(19)28-18-4-2-3-5-18)13-22-27-15-17(24)14-21-23-8-10-26-11-9-23/h6-7,12-13,17-18,21,24H,2-5,8-11,14-15H2,1H3/b22-13+
InChIKeyXRDGDVJELSEKQQ-LPYMAVHISA-N
MW393.48 g/mol
LogP1.56
Rot. Bonds10

About 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol

1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol (PubChem CID 118711357) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol
PubChem CID118711357
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol
SMILESCOc1ccc(/C=N/OCC(O)CNN2CCOCC2)cc1OC1CCCC1
InChIInChI=1S/C20H31N3O5/c1-25-19-7-6-16(12-20(19)28-18-4-2-3-5-18)13-22-27-15-17(24)14-21-23-8-10-26-11-9-23/h6-7,12-13,17-18,21,24H,2-5,8-11,14-15H2,1H3/b22-13+
InChIKeyXRDGDVJELSEKQQ-LPYMAVHISA-N
XLogP1.56
TPSA84.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
CID 44541895
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone
CID 122179941
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
1-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 122179938
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021283
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 42971257

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol?
The IUPAC name of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol (CID 118711357) is 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol?
The canonical SMILES for 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol is COc1ccc(/C=N/OCC(O)CNN2CCOCC2)cc1OC1CCCC1.
What is the InChIKey of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol?
The InChIKey is XRDGDVJELSEKQQ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H31N3O5/c1-25-19-7-6-16(12-20(19)28-18-4-2-3-5-18)13-22-27-15-17(24)14-21-23-8-10-26-11-9-23/h6-7,12-13,17-18,21,24H,2-5,8-11,14-15H2,1H3/b22-13+.
What are the key properties of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol?
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol has a molecular weight of 393.48 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol is sourced from PubChem (CID 118711357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).