N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide

C17H20N2O2 — CID 16786452

IUPACN-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
SMILESCc1cccc(C)c1OCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-6-13(2)17(12)21-10-9-16(20)19-15-8-4-7-14(18)11-15/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyULTFJMLRFSDTBX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.29
Rot. Bonds5

About N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide

N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide (PubChem CID 16786452) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
PubChem CID16786452
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
SMILESCc1cccc(C)c1OCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-6-13(2)17(12)21-10-9-16(20)19-15-8-4-7-14(18)11-15/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyULTFJMLRFSDTBX-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-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
N-(3-aminophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 43345548
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233
N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 107722743
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide (CID 16786452) is N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide is Cc1cccc(C)c1OCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide?
The InChIKey is ULTFJMLRFSDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-3-6-13(2)17(12)21-10-9-16(20)19-15-8-4-7-14(18)11-15/h3-8,11H,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide?
N-(3-aminophenyl)-3-(2,6-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-(2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 16786452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).