N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide

C17H20N2O2 — CID 28995698

IUPACN-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
SMILESNc1ccc(NC(=O)CCOCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-15-6-8-16(9-7-15)19-17(20)11-13-21-12-10-14-4-2-1-3-5-14/h1-9H,10-13,18H2,(H,19,20)
InChIKeyXYWKGUVJSYIWGW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds7

About N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide

N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide (PubChem CID 28995698) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
PubChem CID28995698
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
SMILESNc1ccc(NC(=O)CCOCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-15-6-8-16(9-7-15)19-17(20)11-13-21-12-10-14-4-2-1-3-5-14/h1-9H,10-13,18H2,(H,19,20)
InChIKeyXYWKGUVJSYIWGW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide
CID 43127256
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
4-aminophenol;N-(4-hydroxyphenyl)-2-phenylacetamide
CID 158944339
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide (CID 28995698) is N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide is Nc1ccc(NC(=O)CCOCCc2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide?
The InChIKey is XYWKGUVJSYIWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-15-6-8-16(9-7-15)19-17(20)11-13-21-12-10-14-4-2-1-3-5-14/h1-9H,10-13,18H2,(H,19,20).
What are the key properties of N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide?
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 28995698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).