N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide

C17H20N2O2 — CID 46735775

IUPACN-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-15(21-16-10-5-4-7-12(16)2)17(20)19-14-9-6-8-13(18)11-14/h4-11,15H,3,18H2,1-2H3,(H,19,20)
InChIKeyUPKLYOLTFOTWEM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds5

About N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide

N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 46735775) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
PubChem CID46735775
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-15(21-16-10-5-4-7-12(16)2)17(20)19-14-9-6-8-13(18)11-14/h4-11,15H,3,18H2,1-2H3,(H,19,20)
InChIKeyUPKLYOLTFOTWEM-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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

(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
CID 46771486
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
N-benzyl-N-methyl-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877323
N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
CID 132653358
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
CID 43886287

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide (CID 46735775) is N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is UPKLYOLTFOTWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-15(21-16-10-5-4-7-12(16)2)17(20)19-14-9-6-8-13(18)11-14/h4-11,15H,3,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide?
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 46735775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).