butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate

C23H27NO5 — CID 7926976

IUPACbutyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H27NO5/c1-3-4-15-29-23(27)19-7-11-20(12-8-19)24-22(26)6-5-16-28-21-13-9-18(10-14-21)17(2)25/h7-14H,3-6,15-16H2,1-2H3,(H,24,26)
InChIKeySUCOACMYZNCLEO-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.64
Rot. Bonds11

About butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate

butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate (PubChem CID 7926976) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Namebutyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
PubChem CID7926976
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namebutyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H27NO5/c1-3-4-15-29-23(27)19-7-11-20(12-8-19)24-22(26)6-5-16-28-21-13-9-18(10-14-21)17(2)25/h7-14H,3-6,15-16H2,1-2H3,(H,24,26)
InChIKeySUCOACMYZNCLEO-UHFFFAOYSA-N
XLogP4.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.64
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

butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
CID 19173521
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
butyl 4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]benzoate
CID 19237060
butyl 4-(decanoylamino)benzoate
CID 3404776
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
CID 4270360
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
CID 27364869
butyl 4-[3-[3-(4-butoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate
CID 4046544
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7431944
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220

Frequently Asked Questions

What is the IUPAC name of butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate?
The IUPAC name of butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate (CID 7926976) is butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate.
What is the SMILES notation for butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate?
The canonical SMILES for butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate is CCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate?
The InChIKey is SUCOACMYZNCLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-3-4-15-29-23(27)19-7-11-20(12-8-19)24-22(26)6-5-16-28-21-13-9-18(10-14-21)17(2)25/h7-14H,3-6,15-16H2,1-2H3,(H,24,26).
What are the key properties of butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate?
butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate has a molecular weight of 397.47 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate is sourced from PubChem (CID 7926976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).