2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide

C16H15N3O2 — CID 107802424

IUPAC2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2N)c1C#N
InChIInChI=1S/C16H15N3O2/c1-11-5-4-7-14(12(11)9-17)19-16(20)10-21-15-8-3-2-6-13(15)18/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyBDIXDZFAAIAHPV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.47
Rot. Bonds4

About 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide

2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide (PubChem CID 107802424) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide
PubChem CID107802424
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2N)c1C#N
InChIInChI=1S/C16H15N3O2/c1-11-5-4-7-14(12(11)9-17)19-16(20)10-21-15-8-3-2-6-13(15)18/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyBDIXDZFAAIAHPV-UHFFFAOYSA-N
XLogP2.47
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.47
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

2-(2-aminophenoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79042181
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
3-amino-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 82034375
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
CID 113241608
2-(2-aminophenoxy)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477091
2-(2-aminophenoxy)-N-(2-ethylsulfanylphenyl)acetamide
CID 61104498
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
CID 107801603

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide (CID 107802424) is 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccccc2N)c1C#N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide?
The InChIKey is BDIXDZFAAIAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-4-7-14(12(11)9-17)19-16(20)10-21-15-8-3-2-6-13(15)18/h2-8H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide?
2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide is sourced from PubChem (CID 107802424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).