N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide

C16H18N2O2 — CID 43297835

IUPACN-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)c1ccccc1N
InChIInChI=1S/C16H18N2O2/c1-12(14-9-5-6-10-15(14)17)18-16(19)11-20-13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3,(H,18,19)
InChIKeyCQXBLRKMABULPF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.53
Rot. Bonds5

About N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide

N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide (PubChem CID 43297835) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
PubChem CID43297835
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)c1ccccc1N
InChIInChI=1S/C16H18N2O2/c1-12(14-9-5-6-10-15(14)17)18-16(19)11-20-13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3,(H,18,19)
InChIKeyCQXBLRKMABULPF-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.53
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-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8759816

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide (CID 43297835) is N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide is CC(NC(=O)COc1ccccc1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is CQXBLRKMABULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(14-9-5-6-10-15(14)17)18-16(19)11-20-13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide?
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 43297835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).