4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide

C22H24F2N2O4 — CID 46485327

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide
SMILESCCC(NC(=O)CCCOc1ccc(C#N)cc1OC)c1ccccc1OC(F)F
InChIInChI=1S/C22H24F2N2O4/c1-3-17(16-7-4-5-8-18(16)30-22(23)24)26-21(27)9-6-12-29-19-11-10-15(14-25)13-20(19)28-2/h4-5,7-8,10-11,13,17,22H,3,6,9,12H2,1-2H3,(H,26,27)
InChIKeyMZPWWMIUWMDIFY-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.59
Rot. Bonds11

About 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide (PubChem CID 46485327) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide
PubChem CID46485327
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide
SMILESCCC(NC(=O)CCCOc1ccc(C#N)cc1OC)c1ccccc1OC(F)F
InChIInChI=1S/C22H24F2N2O4/c1-3-17(16-7-4-5-8-18(16)30-22(23)24)26-21(27)9-6-12-29-19-11-10-15(14-25)13-20(19)28-2/h4-5,7-8,10-11,13,17,22H,3,6,9,12H2,1-2H3,(H,26,27)
InChIKeyMZPWWMIUWMDIFY-UHFFFAOYSA-N
XLogP4.59
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]butanamide
CID 71685323
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55673054

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide (CID 46485327) is 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide is CCC(NC(=O)CCCOc1ccc(C#N)cc1OC)c1ccccc1OC(F)F.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide?
The InChIKey is MZPWWMIUWMDIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c1-3-17(16-7-4-5-8-18(16)30-22(23)24)26-21(27)9-6-12-29-19-11-10-15(14-25)13-20(19)28-2/h4-5,7-8,10-11,13,17,22H,3,6,9,12H2,1-2H3,(H,26,27).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide has a molecular weight of 418.44 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide is sourced from PubChem (CID 46485327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).