4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide

C21H24N2O3 — CID 78789106

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H24N2O3/c1-14-10-15(2)21(16(3)11-14)23-20(24)6-5-9-26-18-8-7-17(13-22)12-19(18)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,24)
InChIKeySAHNDEZHWMIVJS-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.29
Rot. Bonds7

About 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide

4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 78789106) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID78789106
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H24N2O3/c1-14-10-15(2)21(16(3)11-14)23-20(24)6-5-9-26-18-8-7-17(13-22)12-19(18)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,24)
InChIKeySAHNDEZHWMIVJS-UHFFFAOYSA-N
XLogP4.29
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
CID 55758533
4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide
CID 56502865
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide
CID 55765783
4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 8537580

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide (CID 78789106) is 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is SAHNDEZHWMIVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-10-15(2)21(16(3)11-14)23-20(24)6-5-9-26-18-8-7-17(13-22)12-19(18)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,24).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 352.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 78789106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).