N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide

C17H20N2O2 — CID 39384701

IUPACN-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
SMILESNc1cccc(OCCNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c18-15-7-4-8-16(13-15)21-12-11-19-17(20)10-9-14-5-2-1-3-6-14/h1-8,13H,9-12,18H2,(H,19,20)
InChIKeyXKEUPEQTHKJNRV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds7

About N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide

N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide (PubChem CID 39384701) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
PubChem CID39384701
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
SMILESNc1cccc(OCCNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c18-15-7-4-8-16(13-15)21-12-11-19-17(20)10-9-14-5-2-1-3-6-14/h1-8,13H,9-12,18H2,(H,19,20)
InChIKeyXKEUPEQTHKJNRV-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide 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

N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide
CID 114289960
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205623
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 113103062
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
CID 20991274

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide (CID 39384701) is N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide is Nc1cccc(OCCNC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide?
The InChIKey is XKEUPEQTHKJNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-15-7-4-8-16(13-15)21-12-11-19-17(20)10-9-14-5-2-1-3-6-14/h1-8,13H,9-12,18H2,(H,19,20).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide?
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 39384701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).