2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide

C17H18N2O2 — CID 61111655

IUPAC2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide
SMILESNc1ccccc1OCC(=O)NCC1Cc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-15-7-3-4-8-16(15)21-11-17(20)19-10-13-9-12-5-1-2-6-14(12)13/h1-8,13H,9-11,18H2,(H,19,20)
InChIKeyPUWRJKHPSBIAFK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide

2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide (PubChem CID 61111655) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide
PubChem CID61111655
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide
SMILESNc1ccccc1OCC(=O)NCC1Cc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-15-7-3-4-8-16(15)21-11-17(20)19-10-13-9-12-5-1-2-6-14(12)13/h1-8,13H,9-11,18H2,(H,19,20)
InChIKeyPUWRJKHPSBIAFK-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.10
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

2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 60855037
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate
CID 79348790
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
2,4-diamino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzamide
CID 61111657
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
1-(2-aminophenyl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
CID 66417221

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide (CID 61111655) is 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide is Nc1ccccc1OCC(=O)NCC1Cc2ccccc21.
What is the InChIKey of 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide?
The InChIKey is PUWRJKHPSBIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-15-7-3-4-8-16(15)21-11-17(20)19-10-13-9-12-5-1-2-6-14(12)13/h1-8,13H,9-11,18H2,(H,19,20).
What are the key properties of 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide?
2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide is sourced from PubChem (CID 61111655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).