N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide

C18H22N2O3 — CID 119548058

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C18H22N2O3/c1-2-22-16-5-3-4-6-17(16)23-13-18(21)20-12-11-14-7-9-15(19)10-8-14/h3-10H,2,11-13,19H2,1H3,(H,20,21)
InChIKeyJEWWVAGHKQMEPI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.41
Rot. Bonds8

About N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide

N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 119548058) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID119548058
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C18H22N2O3/c1-2-22-16-5-3-4-6-17(16)23-13-18(21)20-12-11-14-7-9-15(19)10-8-14/h3-10H,2,11-13,19H2,1H3,(H,20,21)
InChIKeyJEWWVAGHKQMEPI-UHFFFAOYSA-N
XLogP2.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.41
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-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
CID 108572439
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenoxy)propanamide;hydrochloride
CID 119548049
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride
CID 119548927
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide (CID 119548058) is N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is JEWWVAGHKQMEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-22-16-5-3-4-6-17(16)23-13-18(21)20-12-11-14-7-9-15(19)10-8-14/h3-10H,2,11-13,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 119548058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).