N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride

C18H23ClN2O2 — CID 119548927

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NCCc2ccc(N)cc2)c(C)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-3-8-17(14(2)11-13)22-12-18(21)20-10-9-15-4-6-16(19)7-5-15;/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyZDTLYBDJQNQBCA-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride (PubChem CID 119548927) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride
PubChem CID119548927
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NCCc2ccc(N)cc2)c(C)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-3-8-17(14(2)11-13)22-12-18(21)20-10-9-15-4-6-16(19)7-5-15;/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyZDTLYBDJQNQBCA-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.05
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

N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815174
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108571580
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride (CID 119548927) is N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride is Cc1ccc(OCC(=O)NCCc2ccc(N)cc2)c(C)c1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride?
The InChIKey is ZDTLYBDJQNQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13-3-8-17(14(2)11-13)22-12-18(21)20-10-9-15-4-6-16(19)7-5-15;/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119548927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).