N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide

C17H17N3O2 — CID 18069922

IUPACN-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCOc1ccccc1C#N
InChIInChI=1S/C17H17N3O2/c1-12-6-7-14(19)10-15(12)20-17(21)8-9-22-16-5-3-2-4-13(16)11-18/h2-7,10H,8-9,19H2,1H3,(H,20,21)
InChIKeyRLGUFQXFQWTWCE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.86
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide

N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide (PubChem CID 18069922) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
PubChem CID18069922
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCOc1ccccc1C#N
InChIInChI=1S/C17H17N3O2/c1-12-6-7-14(19)10-15(12)20-17(21)8-9-22-16-5-3-2-4-13(16)11-18/h2-7,10H,8-9,19H2,1H3,(H,20,21)
InChIKeyRLGUFQXFQWTWCE-UHFFFAOYSA-N
XLogP2.86
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 16793907
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
3-(2-cyanophenoxy)-N-methylpropanamide
CID 62326067
[3-(2-cyanoanilino)-3-oxopropyl] 3-(2,5-dimethylphenoxy)propanoate
CID 18267761
methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
CID 8920295
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
CID 55061966
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide (CID 18069922) is N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide is Cc1ccc(N)cc1NC(=O)CCOc1ccccc1C#N.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide?
The InChIKey is RLGUFQXFQWTWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-6-7-14(19)10-15(12)20-17(21)8-9-22-16-5-3-2-4-13(16)11-18/h2-7,10H,8-9,19H2,1H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide?
N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide has a molecular weight of 295.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide is sourced from PubChem (CID 18069922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).