N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide

C16H18N2O3 — CID 43174395

IUPACN-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCOc1cccc(N)c1
InChIInChI=1S/C16H18N2O3/c1-12(19)18-15-7-2-3-8-16(15)21-10-9-20-14-6-4-5-13(17)11-14/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyTYVVXUJALPTWRJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.68
Rot. Bonds6

About N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide

N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide (PubChem CID 43174395) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide
PubChem CID43174395
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCOc1cccc(N)c1
InChIInChI=1S/C16H18N2O3/c1-12(19)18-15-7-2-3-8-16(15)21-10-9-20-14-6-4-5-13(17)11-14/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyTYVVXUJALPTWRJ-UHFFFAOYSA-N
XLogP2.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
2-(3-aminophenyl)-N-(2-propoxyphenyl)acetamide
CID 65350525
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
2-[3-(3-aminophenoxy)propoxy]benzamide
CID 43174426
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
2-[4-(3-aminophenoxy)butoxy]aniline
CID 146356304
N-[2-[1-(3-aminophenyl)ethoxy]phenyl]acetamide
CID 61261456

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide (CID 43174395) is N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCCOc1cccc(N)c1.
What is the InChIKey of N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide?
The InChIKey is TYVVXUJALPTWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(19)18-15-7-2-3-8-16(15)21-10-9-20-14-6-4-5-13(17)11-14/h2-8,11H,9-10,17H2,1H3,(H,18,19).
What are the key properties of N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide?
N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 43174395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).