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

C22H27NO3 — CID 112762237

IUPAC4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
SMILESCCc1ccc(C(C)NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-4-18-7-9-19(10-8-18)16(2)23-22(25)6-5-15-26-21-13-11-20(12-14-21)17(3)24/h7-14,16H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyUCIUVZAOBYOKTN-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.49
Rot. Bonds9

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

4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide (PubChem CID 112762237) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
PubChem CID112762237
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
SMILESCCc1ccc(C(C)NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-4-18-7-9-19(10-8-18)16(2)23-22(25)6-5-15-26-21-13-11-20(12-14-21)17(3)24/h7-14,16H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyUCIUVZAOBYOKTN-UHFFFAOYSA-N
XLogP4.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 134035078
4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34762946
4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 78778582
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045
2-[4-(4-acetylphenoxy)butanoylamino]butanoic acid
CID 119223471
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide (CID 112762237) is 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide is CCc1ccc(C(C)NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide?
The InChIKey is UCIUVZAOBYOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-18-7-9-19(10-8-18)16(2)23-22(25)6-5-15-26-21-13-11-20(12-14-21)17(3)24/h7-14,16H,4-6,15H2,1-3H3,(H,23,25).
What are the key properties of 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide?
4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide has a molecular weight of 353.46 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide is sourced from PubChem (CID 112762237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).