3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide

C23H24N2O2 — CID 54795311

IUPAC3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
SMILESNc1ccc(CCC(=O)Nc2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O2/c24-20-12-9-19(10-13-20)11-14-23(26)25-21-7-4-8-22(17-21)27-16-15-18-5-2-1-3-6-18/h1-10,12-13,17H,11,14-16,24H2,(H,25,26)
InChIKeyXJZNYWUZSHYXLV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.46
Rot. Bonds8

About 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide

3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide (PubChem CID 54795311) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
PubChem CID54795311
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
SMILESNc1ccc(CCC(=O)Nc2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O2/c24-20-12-9-19(10-13-20)11-14-23(26)25-21-7-4-8-22(17-21)27-16-15-18-5-2-1-3-6-18/h1-10,12-13,17H,11,14-16,24H2,(H,25,26)
InChIKeyXJZNYWUZSHYXLV-UHFFFAOYSA-N
XLogP4.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide (CID 54795311) is 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide is Nc1ccc(CCC(=O)Nc2cccc(OCCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide?
The InChIKey is XJZNYWUZSHYXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c24-20-12-9-19(10-13-20)11-14-23(26)25-21-7-4-8-22(17-21)27-16-15-18-5-2-1-3-6-18/h1-10,12-13,17H,11,14-16,24H2,(H,25,26).
What are the key properties of 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide?
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide is sourced from PubChem (CID 54795311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).