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

C17H20N2O2 — CID 39384693

IUPACN-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyOGFCOMOUCDXCNV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.31
Rot. Bonds6

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

N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 39384693) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID39384693
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyOGFCOMOUCDXCNV-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
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
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide (CID 39384693) is N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OGFCOMOUCDXCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.31, 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-(4-methylphenoxy)acetamide is sourced from PubChem (CID 39384693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).