2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide

C16H15N3O2 — CID 61103319

IUPAC2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide
SMILESN#Cc1cccc(CNC(=O)COc2ccc(N)cc2)c1
InChIInChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)10-19-16(20)11-21-15-6-4-14(18)5-7-15/h1-8H,10-11,18H2,(H,19,20)
InChIKeyOBIZBYGJYYAJIX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.84
Rot. Bonds5

About 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide

2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide (PubChem CID 61103319) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide
PubChem CID61103319
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide
SMILESN#Cc1cccc(CNC(=O)COc2ccc(N)cc2)c1
InChIInChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)10-19-16(20)11-21-15-6-4-14(18)5-7-15/h1-8H,10-11,18H2,(H,19,20)
InChIKeyOBIZBYGJYYAJIX-UHFFFAOYSA-N
XLogP1.84
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-(5-amino-2-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 107337886
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
CID 61102362
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
2-(5-amino-2-oxo-1-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62814607
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide (CID 61103319) is 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide is N#Cc1cccc(CNC(=O)COc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide?
The InChIKey is OBIZBYGJYYAJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)10-19-16(20)11-21-15-6-4-14(18)5-7-15/h1-8H,10-11,18H2,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide?
2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 61103319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).