[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate

C18H27NO5 — CID 55402588

IUPAC[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCCCCNC(=O)COC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C18H27NO5/c1-3-4-5-12-19-17(20)14-24-18(21)7-6-13-23-16-10-8-15(22-2)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyUOIQDLCLQXLWCK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.70
Rot. Bonds12

About [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate

[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 55402588) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID55402588
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCCCCNC(=O)COC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C18H27NO5/c1-3-4-5-12-19-17(20)14-24-18(21)7-6-13-23-16-10-8-15(22-2)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyUOIQDLCLQXLWCK-UHFFFAOYSA-N
XLogP2.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.70
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-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210258
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147385
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 3293025
4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
2-[6-[[2-(4-butoxyphenyl)acetyl]amino]hexanoyloxy]ethyl-trimethylazanium iodide
CID 10369846
[2-(2-cyanoethylamino)-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147727

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate (CID 55402588) is [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate is CCCCCNC(=O)COC(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is UOIQDLCLQXLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-3-4-5-12-19-17(20)14-24-18(21)7-6-13-23-16-10-8-15(22-2)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,19,20).
What are the key properties of [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 337.42 g/mol, XLogP of 2.70, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 55402588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).