2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone

C21H30N2O5 — CID 44541350

IUPAC2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCOc1ccc(/C=N/OCC(=O)N2CC(C)OC(C)C2)cc1OC1CCCC1
InChIInChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+
InChIKeyJEXHQZPMUKFOIV-SSDVNMTOSA-N
MW390.48 g/mol
LogP3.00
Rot. Bonds7

About 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 44541350) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID44541350
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCOc1ccc(/C=N/OCC(=O)N2CC(C)OC(C)C2)cc1OC1CCCC1
InChIInChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+
InChIKeyJEXHQZPMUKFOIV-SSDVNMTOSA-N
XLogP3.00
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 44541350) is 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone is COc1ccc(/C=N/OCC(=O)N2CC(C)OC(C)C2)cc1OC1CCCC1.
What is the InChIKey of 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is JEXHQZPMUKFOIV-SSDVNMTOSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+.
What are the key properties of 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 390.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 44541350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).