4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide

C21H22N2O3 — CID 134035078

IUPAC4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC(C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15(18-7-5-17(14-22)6-8-18)23-21(25)4-3-13-26-20-11-9-19(10-12-20)16(2)24/h5-12,15H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyRMZUVXYXQXRXCA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.80
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide

4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide (PubChem CID 134035078) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
PubChem CID134035078
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC(C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15(18-7-5-17(14-22)6-8-18)23-21(25)4-3-13-26-20-11-9-19(10-12-20)16(2)24/h5-12,15H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyRMZUVXYXQXRXCA-UHFFFAOYSA-N
XLogP3.80
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.80
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-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
CID 112762237
4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34762946
4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 78778582
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
N-[1-(4-cyanophenyl)ethyl]octanamide
CID 134035112
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
2-[4-(4-acetylphenoxy)butanoylamino]butanoic acid
CID 119223471
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide (CID 134035078) is 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide is CC(=O)c1ccc(OCCCC(=O)NC(C)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide?
The InChIKey is RMZUVXYXQXRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(18-7-5-17(14-22)6-8-18)23-21(25)4-3-13-26-20-11-9-19(10-12-20)16(2)24/h5-12,15H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide?
4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide is sourced from PubChem (CID 134035078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).