3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide

C23H24N2O3 — CID 54795447

IUPAC3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C23H24N2O3/c24-22-12-5-4-7-18(22)13-14-23(26)25-19-8-6-11-21(17-19)28-16-15-27-20-9-2-1-3-10-20/h1-12,17H,13-16,24H2,(H,25,26)
InChIKeyCKEOOHSJUDCTOJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.30
Rot. Bonds9

About 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide

3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide (PubChem CID 54795447) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
PubChem CID54795447
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C23H24N2O3/c24-22-12-5-4-7-18(22)13-14-23(26)25-19-8-6-11-21(17-19)28-16-15-27-20-9-2-1-3-10-20/h1-12,17H,13-16,24H2,(H,25,26)
InChIKeyCKEOOHSJUDCTOJ-UHFFFAOYSA-N
XLogP4.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.30
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 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide 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-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
CID 54795478
3-(2-aminophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]propanamide;hydrochloride
CID 120610173
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide (CID 54795447) is 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide is Nc1ccccc1CCC(=O)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
The InChIKey is CKEOOHSJUDCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c24-22-12-5-4-7-18(22)13-14-23(26)25-19-8-6-11-21(17-19)28-16-15-27-20-9-2-1-3-10-20/h1-12,17H,13-16,24H2,(H,25,26).
What are the key properties of 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 54795447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).