[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

C16H21NO5 — CID 7147385

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H21NO5/c1-20-13-6-8-14(9-7-13)21-10-2-3-16(19)22-11-15(18)17-12-4-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyGQQXYEBKJMDGJF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.68
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 7147385) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID7147385
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H21NO5/c1-20-13-6-8-14(9-7-13)21-10-2-3-16(19)22-11-15(18)17-12-4-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyGQQXYEBKJMDGJF-UHFFFAOYSA-N
XLogP1.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.68
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-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147278
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 4877490
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 55402588
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 3293025
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210258
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
CID 86907108

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (CID 7147385) is [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is COc1ccc(OCCCC(=O)OCC(=O)NC2CC2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is GQQXYEBKJMDGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-20-13-6-8-14(9-7-13)21-10-2-3-16(19)22-11-15(18)17-12-4-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
[2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 307.35 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 7147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).