3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid

C16H25NO4 — CID 62826031

IUPAC3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
SMILESCCOc1ccc(OCCN(CC)C(C)CC(=O)O)cc1
InChIInChI=1S/C16H25NO4/c1-4-17(13(3)12-16(18)19)10-11-21-15-8-6-14(7-9-15)20-5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyGIWYSIBQKPYQDW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.65
Rot. Bonds10

About 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid

3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid (PubChem CID 62826031) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
PubChem CID62826031
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
SMILESCCOc1ccc(OCCN(CC)C(C)CC(=O)O)cc1
InChIInChI=1S/C16H25NO4/c1-4-17(13(3)12-16(18)19)10-11-21-15-8-6-14(7-9-15)20-5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyGIWYSIBQKPYQDW-UHFFFAOYSA-N
XLogP2.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-chlorophenoxy)ethyl-ethylamino]butanoic acid
CID 62828347
3-[2-(4-bromophenoxy)ethyl-ethylamino]butanoic acid
CID 62827483
3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
3-[[carboxy-(4-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 82345083
3-[ethyl(2-phenylsulfanylethyl)amino]butanoic acid
CID 79228922
3-(diethylamino)-4-(4-propoxyphenyl)butanoic acid
CID 82352352
3-[(2-ethoxyphenyl)methyl-ethylamino]butanoic acid
CID 55122799
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid?
The IUPAC name of 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid (CID 62826031) is 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid.
What is the SMILES notation for 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid?
The canonical SMILES for 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid is CCOc1ccc(OCCN(CC)C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid?
The InChIKey is GIWYSIBQKPYQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-17(13(3)12-16(18)19)10-11-21-15-8-6-14(7-9-15)20-5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid?
3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid is sourced from PubChem (CID 62826031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).