2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone

C19H24F2N2O5 — CID 122179941

IUPAC2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone
SMILESO=C(CO/N=C/c1ccc(OC(F)F)c(OC2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C19H24F2N2O5/c20-19(21)28-16-6-5-14(11-17(16)27-15-3-1-2-4-15)12-22-26-13-18(24)23-7-9-25-10-8-23/h5-6,11-12,15,19H,1-4,7-10,13H2/b22-12+
InChIKeyZNDCHRHQFOXGTB-WSDLNYQXSA-N
MW398.41 g/mol
LogP2.82
Rot. Bonds8

About 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone

2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone (PubChem CID 122179941) has the molecular formula C19H24F2N2O5 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone
PubChem CID122179941
Molecular FormulaC19H24F2N2O5
Molecular Weight398.41 g/mol
Exact Mass398.17
IUPAC Name2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone
SMILESO=C(CO/N=C/c1ccc(OC(F)F)c(OC2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C19H24F2N2O5/c20-19(21)28-16-6-5-14(11-17(16)27-15-3-1-2-4-15)12-22-26-13-18(24)23-7-9-25-10-8-23/h5-6,11-12,15,19H,1-4,7-10,13H2/b22-12+
InChIKeyZNDCHRHQFOXGTB-WSDLNYQXSA-N
XLogP2.82
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.82
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-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone (CID 122179941) is 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone is O=C(CO/N=C/c1ccc(OC(F)F)c(OC2CCCC2)c1)N1CCOCC1.
What is the InChIKey of 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone?
The InChIKey is ZNDCHRHQFOXGTB-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H24F2N2O5/c20-19(21)28-16-6-5-14(11-17(16)27-15-3-1-2-4-15)12-22-26-13-18(24)23-7-9-25-10-8-23/h5-6,11-12,15,19H,1-4,7-10,13H2/b22-12+.
What are the key properties of 2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone?
2-[(E)-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone has a molecular weight of 398.41 g/mol, XLogP of 2.82, 8 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-(difluoromethoxy)phenyl]methylideneamino]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 122179941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).