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

C17H20N2O3 — CID 43825399

IUPACN-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1OCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H20N2O3/c1-2-21-15-5-3-4-6-16(15)22-12-11-17(20)19-14-9-7-13(18)8-10-14/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyJIEHDYUNBLAOIL-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.08
Rot. Bonds7

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

N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide (PubChem CID 43825399) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
PubChem CID43825399
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1OCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H20N2O3/c1-2-21-15-5-3-4-6-16(15)22-12-11-17(20)19-14-9-7-13(18)8-10-14/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyJIEHDYUNBLAOIL-UHFFFAOYSA-N
XLogP3.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide
CID 63652209
N-(4-acetamido-3-chlorophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 25470676
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856676
methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
CID 7901202
N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
CID 2082414
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide (CID 43825399) is N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide is CCOc1ccccc1OCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide?
The InChIKey is JIEHDYUNBLAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-21-15-5-3-4-6-16(15)22-12-11-17(20)19-14-9-7-13(18)8-10-14/h3-10H,2,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide?
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide has a molecular weight of 300.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide is sourced from PubChem (CID 43825399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).