4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide

C18H22N2O3 — CID 84553851

IUPAC4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C18H22N2O3/c1-2-22-17-11-6-4-9-15(17)20-18(21)12-7-13-23-16-10-5-3-8-14(16)19/h3-6,8-11H,2,7,12-13,19H2,1H3,(H,20,21)
InChIKeyBXGQJMOQCDPFSO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.47
Rot. Bonds8

About 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide

4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide (PubChem CID 84553851) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
PubChem CID84553851
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C18H22N2O3/c1-2-22-17-11-6-4-9-15(17)20-18(21)12-7-13-23-16-10-5-3-8-14(16)19/h3-6,8-11H,2,7,12-13,19H2,1H3,(H,20,21)
InChIKeyBXGQJMOQCDPFSO-UHFFFAOYSA-N
XLogP3.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide 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

4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
N-(2-ethoxyphenyl)octanamide
CID 4158866
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
CID 84551755
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide (CID 84553851) is 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide is CCOc1ccccc1NC(=O)CCCOc1ccccc1N.
What is the InChIKey of 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide?
The InChIKey is BXGQJMOQCDPFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-22-17-11-6-4-9-15(17)20-18(21)12-7-13-23-16-10-5-3-8-14(16)19/h3-6,8-11H,2,7,12-13,19H2,1H3,(H,20,21).
What are the key properties of 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide?
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide has a molecular weight of 314.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide is sourced from PubChem (CID 84553851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).