N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide

C18H27FN2O3 — CID 75452386

IUPACN-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide
SMILESCCCCC(ON=C(C)C)C(=O)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O3/c1-5-6-7-17(24-21-13(2)3)18(22)20-12-14(4)23-16-10-8-15(19)9-11-16/h8-11,14,17H,5-7,12H2,1-4H3,(H,20,22)
InChIKeyGTUHVUYOQNOMQJ-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.68
Rot. Bonds10

About N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide

N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide (PubChem CID 75452386) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide
PubChem CID75452386
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide
SMILESCCCCC(ON=C(C)C)C(=O)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O3/c1-5-6-7-17(24-21-13(2)3)18(22)20-12-14(4)23-16-10-8-15(19)9-11-16/h8-11,14,17H,5-7,12H2,1-4H3,(H,20,22)
InChIKeyGTUHVUYOQNOMQJ-UHFFFAOYSA-N
XLogP3.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide (CID 75452386) is N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide is CCCCC(ON=C(C)C)C(=O)NCC(C)Oc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide?
The InChIKey is GTUHVUYOQNOMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-5-6-7-17(24-21-13(2)3)18(22)20-12-14(4)23-16-10-8-15(19)9-11-16/h8-11,14,17H,5-7,12H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide?
N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide has a molecular weight of 338.42 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide is sourced from PubChem (CID 75452386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).