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

C17H20N2O2 — CID 43127256

IUPACN-(4-aminophenyl)-2-(2-phenylethoxy)propanamide
SMILESCC(OCCc1ccccc1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-13(21-12-11-14-5-3-2-4-6-14)17(20)19-16-9-7-15(18)8-10-16/h2-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyKUZOQCXQBREFOZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds6

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

N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide (PubChem CID 43127256) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-phenylethoxy)propanamide
PubChem CID43127256
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-aminophenyl)-2-(2-phenylethoxy)propanamide
SMILESCC(OCCc1ccccc1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-13(21-12-11-14-5-3-2-4-6-14)17(20)19-16-9-7-15(18)8-10-16/h2-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyKUZOQCXQBREFOZ-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminophenyl)ethoxy]-N-phenylpropanamide
CID 102902653
N-(4-aminophenyl)-2-(2-cyclobutylethoxy)propanamide
CID 106200082
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
2-(4-aminophenoxy)-N-phenylpropanamide
CID 43115954
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
N-phenyl-2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62343791
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
2-(2-amino-2-methylpropoxy)-N-phenylpropanamide
CID 64536975
3-[4-(2-phenylmethoxypropanoylamino)phenyl]butanoic acid
CID 113419980
2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
CID 119253847

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide (CID 43127256) is N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide is CC(OCCc1ccccc1)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide?
The InChIKey is KUZOQCXQBREFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(21-12-11-14-5-3-2-4-6-14)17(20)19-16-9-7-15(18)8-10-16/h2-10,13H,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide?
N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-phenylethoxy)propanamide is sourced from PubChem (CID 43127256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).