N-(2-aminophenyl)-3-phenoxypropanamide

C15H16N2O2 — CID 16790214

IUPACN-(2-aminophenyl)-3-phenoxypropanamide
SMILESNc1ccccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C15H16N2O2/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyLBXBAEVCAXEQLR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.68
Rot. Bonds5

About N-(2-aminophenyl)-3-phenoxypropanamide

N-(2-aminophenyl)-3-phenoxypropanamide (PubChem CID 16790214) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-phenoxypropanamide
PubChem CID16790214
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminophenyl)-3-phenoxypropanamide
SMILESNc1ccccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C15H16N2O2/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyLBXBAEVCAXEQLR-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.68
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-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(2-aminophenyl)-3-(4-chloro-3-fluorophenoxy)propanamide
CID 82717901
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-aminophenyl)-3-phenoxypropanamide (CID 16790214) is N-(2-aminophenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-aminophenyl)-3-phenoxypropanamide is Nc1ccccc1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-3-phenoxypropanamide?
The InChIKey is LBXBAEVCAXEQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18).
What are the key properties of N-(2-aminophenyl)-3-phenoxypropanamide?
N-(2-aminophenyl)-3-phenoxypropanamide has a molecular weight of 256.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-phenoxypropanamide is sourced from PubChem (CID 16790214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).