4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate

C14H18NO5- — CID 9156443

IUPAC4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate
SMILESCCOc1ccccc1OCCNC(=O)CCC(=O)[O-]
InChIInChI=1S/C14H19NO5/c1-2-19-11-5-3-4-6-12(11)20-10-9-15-13(16)7-8-14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18)/p-1
InChIKeyNSWBWJSYSYHPPY-UHFFFAOYSA-M
MW280.30 g/mol
LogP0.11
Rot. Bonds9

About 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate

4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate (PubChem CID 9156443) has the molecular formula C14H18NO5- and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate
PubChem CID9156443
Molecular FormulaC14H18NO5-
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate
SMILESCCOc1ccccc1OCCNC(=O)CCC(=O)[O-]
InChIInChI=1S/C14H19NO5/c1-2-19-11-5-3-4-6-12(11)20-10-9-15-13(16)7-8-14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18)/p-1
InChIKeyNSWBWJSYSYHPPY-UHFFFAOYSA-M
XLogP0.11
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.11
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

N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate?
The IUPAC name of 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate (CID 9156443) is 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate.
What is the SMILES notation for 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate?
The canonical SMILES for 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate is CCOc1ccccc1OCCNC(=O)CCC(=O)[O-].
What is the InChIKey of 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate?
The InChIKey is NSWBWJSYSYHPPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO5/c1-2-19-11-5-3-4-6-12(11)20-10-9-15-13(16)7-8-14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate?
4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate has a molecular weight of 280.30 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 9156443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).