4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide

C16H18N2O3 — CID 84553820

IUPAC4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c17-14-7-1-2-8-15(14)21-10-4-9-16(20)18-12-5-3-6-13(19)11-12/h1-3,5-8,11,19H,4,9-10,17H2,(H,18,20)
InChIKeyDATUYOBIGRPYQL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.77
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide

4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide (PubChem CID 84553820) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
PubChem CID84553820
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c17-14-7-1-2-8-15(14)21-10-4-9-16(20)18-12-5-3-6-13(19)11-12/h1-3,5-8,11,19H,4,9-10,17H2,(H,18,20)
InChIKeyDATUYOBIGRPYQL-UHFFFAOYSA-N
XLogP2.77
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.77
H-Bond Donors ≤ 53
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-(3-hydroxyphenyl)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-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487035
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide (CID 84553820) is 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide is Nc1ccccc1OCCCC(=O)Nc1cccc(O)c1.
What is the InChIKey of 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide?
The InChIKey is DATUYOBIGRPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-14-7-1-2-8-15(14)21-10-4-9-16(20)18-12-5-3-6-13(19)11-12/h1-3,5-8,11,19H,4,9-10,17H2,(H,18,20).
What are the key properties of 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide?
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide has a molecular weight of 286.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide is sourced from PubChem (CID 84553820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).