N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide

C22H33NO5 — CID 58427304

IUPACN-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide
SMILESCCCC(=O)CCCOCCOCC(=O)NCCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H33NO5/c1-3-6-20(24)7-5-14-27-15-16-28-17-22(26)23-13-4-8-21(25)19-11-9-18(2)10-12-19/h9-12H,3-8,13-17H2,1-2H3,(H,23,26)
InChIKeyJUKHMCZHIFZNMH-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.26
Rot. Bonds16

About N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide

N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide (PubChem CID 58427304) has the molecular formula C22H33NO5 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide
PubChem CID58427304
Molecular FormulaC22H33NO5
Molecular Weight391.51 g/mol
Exact Mass391.24
IUPAC NameN-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide
SMILESCCCC(=O)CCCOCCOCC(=O)NCCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H33NO5/c1-3-6-20(24)7-5-14-27-15-16-28-17-22(26)23-13-4-8-21(25)19-11-9-18(2)10-12-19/h9-12H,3-8,13-17H2,1-2H3,(H,23,26)
InChIKeyJUKHMCZHIFZNMH-UHFFFAOYSA-N
XLogP3.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.26
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

2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide
CID 58427329
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide
CID 157294049
4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide
CID 157125881
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
2-[3-[(1-carboxy-4-oxohexyl)amino]-3-oxopropyl]-4-oxo-7-[4-[4-(2H-tetrazol-5-yl)butanoylsulfamoyl]butanoylamino]heptanoic acid;N-[4-(4-methylphenyl)-4-oxobutyl]-2-(2-propoxyethoxy)acetamide
CID 162196886
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide?
The IUPAC name of N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide (CID 58427304) is N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide?
The canonical SMILES for N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide is CCCC(=O)CCCOCCOCC(=O)NCCCC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide?
The InChIKey is JUKHMCZHIFZNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO5/c1-3-6-20(24)7-5-14-27-15-16-28-17-22(26)23-13-4-8-21(25)19-11-9-18(2)10-12-19/h9-12H,3-8,13-17H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide?
N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide has a molecular weight of 391.51 g/mol, XLogP of 3.26, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide is sourced from PubChem (CID 58427304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).