N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine

C22H25Cl2NO4 — CID 139900522

IUPACN-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine
SMILESCCC(C)ON=C(C)COc1ccc(Oc2ccc(OCC=C(Cl)Cl)cc2)cc1
InChIInChI=1S/C22H25Cl2NO4/c1-4-17(3)29-25-16(2)15-27-19-7-11-21(12-8-19)28-20-9-5-18(6-10-20)26-14-13-22(23)24/h5-13,17H,4,14-15H2,1-3H3
InChIKeyUZSDZQCGUUHYKB-UHFFFAOYSA-N
MW438.35 g/mol
LogP6.75
Rot. Bonds11

About N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine

N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine (PubChem CID 139900522) has the molecular formula C22H25Cl2NO4 and a molecular weight of 438.35 g/mol. Its IUPAC name is N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine.

Molecular Properties

Compound NameN-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine
PubChem CID139900522
Molecular FormulaC22H25Cl2NO4
Molecular Weight438.35 g/mol
Exact Mass437.12
IUPAC NameN-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine
SMILESCCC(C)ON=C(C)COc1ccc(Oc2ccc(OCC=C(Cl)Cl)cc2)cc1
InChIInChI=1S/C22H25Cl2NO4/c1-4-17(3)29-25-16(2)15-27-19-7-11-21(12-8-19)28-20-9-5-18(6-10-20)26-14-13-22(23)24/h5-13,17H,4,14-15H2,1-3H3
InChIKeyUZSDZQCGUUHYKB-UHFFFAOYSA-N
XLogP6.75
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine with MolForge

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Related Compounds

1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-N-(2,2-dimethylpropoxy)propan-2-imine
CID 139900542
4-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenyl]-N-[(2-methylpropan-2-yl)oxy]butan-2-imine
CID 139900475
3-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-methylanilino]butan-2-one
CID 139900535
2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone
CID 139900510
2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-phenylethanone
CID 139900449
2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-N-[(2-methylpropan-2-yl)oxy]propan-1-imine
CID 139900552
4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2-ethoxyimino-3,3-dimethylbutyl)aniline
CID 139900407
1-[5-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1,3-dimethylpyrazol-4-yl]-N-propan-2-yloxymethanimine
CID 91278900
3-[4-[[4-(3,3-dichloroprop-2-enoxy)phenyl]methyl]phenoxy]butan-2-one
CID 139900422
4-(3,3-dichloroprop-2-enoxy)-N-[4-(2-methoxyimino-3,3-dimethylbutoxy)phenyl]-N-methylaniline
CID 139900568
4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[2-[(2-methylpropan-2-yl)oxyimino]ethyl]aniline
CID 139900506
1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene
CID 71409026

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine?
The IUPAC name of N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine (CID 139900522) is N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine.
What is the SMILES notation for N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine?
The canonical SMILES for N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine is CCC(C)ON=C(C)COc1ccc(Oc2ccc(OCC=C(Cl)Cl)cc2)cc1.
What is the InChIKey of N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine?
The InChIKey is UZSDZQCGUUHYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO4/c1-4-17(3)29-25-16(2)15-27-19-7-11-21(12-8-19)28-20-9-5-18(6-10-20)26-14-13-22(23)24/h5-13,17H,4,14-15H2,1-3H3.
What are the key properties of N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine?
N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine has a molecular weight of 438.35 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yloxy-1-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]propan-2-imine is sourced from PubChem (CID 139900522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).