N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide

C17H20N2O2 — CID 16790811

IUPACN-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12-6-7-13(2)16(10-12)21-9-8-17(20)19-15-5-3-4-14(18)11-15/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyYYAGAKRTZOXVLB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.29
Rot. Bonds5

About N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide

N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 16790811) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
PubChem CID16790811
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12-6-7-13(2)16(10-12)21-9-8-17(20)19-15-5-3-4-14(18)11-15/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyYYAGAKRTZOXVLB-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 39736119
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
CID 8933646
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide (CID 16790811) is N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2cccc(N)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is YYAGAKRTZOXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-6-7-13(2)16(10-12)21-9-8-17(20)19-15-5-3-4-14(18)11-15/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide?
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 16790811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).