ethyl 4-(5-hydroxypentanoylamino)benzoate

C14H19NO4 — CID 79199550

IUPACethyl 4-(5-hydroxypentanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCCCO)cc1
InChIInChI=1S/C14H19NO4/c1-2-19-14(18)11-6-8-12(9-7-11)15-13(17)5-3-4-10-16/h6-9,16H,2-5,10H2,1H3,(H,15,17)
InChIKeyBFWBGQSQUNWTBP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.96
Rot. Bonds7

About ethyl 4-(5-hydroxypentanoylamino)benzoate

ethyl 4-(5-hydroxypentanoylamino)benzoate (PubChem CID 79199550) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 4-(5-hydroxypentanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(5-hydroxypentanoylamino)benzoate
PubChem CID79199550
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 4-(5-hydroxypentanoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCCCO)cc1
InChIInChI=1S/C14H19NO4/c1-2-19-14(18)11-6-8-12(9-7-11)15-13(17)5-3-4-10-16/h6-9,16H,2-5,10H2,1H3,(H,15,17)
InChIKeyBFWBGQSQUNWTBP-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
ethyl 4-(icosanoylamino)benzoate
CID 4522300
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
ethyl 3-(4-hydroxybutanoylamino)benzoate
CID 79192155
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
butyl 4-(decanoylamino)benzoate
CID 3404776
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779
(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
CID 845245
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-hydroxypentanoylamino)benzoate?
The IUPAC name of ethyl 4-(5-hydroxypentanoylamino)benzoate (CID 79199550) is ethyl 4-(5-hydroxypentanoylamino)benzoate.
What is the SMILES notation for ethyl 4-(5-hydroxypentanoylamino)benzoate?
The canonical SMILES for ethyl 4-(5-hydroxypentanoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)CCCCO)cc1.
What is the InChIKey of ethyl 4-(5-hydroxypentanoylamino)benzoate?
The InChIKey is BFWBGQSQUNWTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-14(18)11-6-8-12(9-7-11)15-13(17)5-3-4-10-16/h6-9,16H,2-5,10H2,1H3,(H,15,17).
What are the key properties of ethyl 4-(5-hydroxypentanoylamino)benzoate?
ethyl 4-(5-hydroxypentanoylamino)benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-hydroxypentanoylamino)benzoate is sourced from PubChem (CID 79199550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).