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

C23H29NO4 — CID 19173521

IUPACbutyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(CC)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-3-5-16-28-23(26)19-10-12-20(13-11-19)24-22(25)7-6-17-27-21-14-8-18(4-2)9-15-21/h8-15H,3-7,16-17H2,1-2H3,(H,24,25)
InChIKeyKJUTWMPILYQFAW-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.00
Rot. Bonds11

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

butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate (PubChem CID 19173521) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Namebutyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
PubChem CID19173521
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namebutyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(CC)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-3-5-16-28-23(26)19-10-12-20(13-11-19)24-22(25)7-6-17-27-21-14-8-18(4-2)9-15-21/h8-15H,3-7,16-17H2,1-2H3,(H,24,25)
InChIKeyKJUTWMPILYQFAW-UHFFFAOYSA-N
XLogP5.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.00
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

butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7926976
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
butyl 4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]benzoate
CID 19237060
butyl 4-(decanoylamino)benzoate
CID 3404776
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
2-methylpropyl 4-[4-(4-propylphenoxy)butanoylamino]benzoate
CID 19191364
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
butyl 4-[3-[3-(4-butoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate
CID 4046544
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
[4-[[10-[4-(4-octoxybenzoyl)oxyanilino]-10-oxodecanoyl]amino]phenyl] 4-octoxybenzoate
CID 102213434
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220

Frequently Asked Questions

What is the IUPAC name of butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate?
The IUPAC name of butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate (CID 19173521) is butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate.
What is the SMILES notation for butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate?
The canonical SMILES for butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate is CCCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(CC)cc2)cc1.
What is the InChIKey of butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate?
The InChIKey is KJUTWMPILYQFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-3-5-16-28-23(26)19-10-12-20(13-11-19)24-22(25)7-6-17-27-21-14-8-18(4-2)9-15-21/h8-15H,3-7,16-17H2,1-2H3,(H,24,25).
What are the key properties of butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate?
butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate has a molecular weight of 383.49 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate is sourced from PubChem (CID 19173521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).