N-[2-(3-azidophenoxy)ethyl]acetamide

C10H12N4O2 — CID 151103668

IUPACN-[2-(3-azidophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C10H12N4O2/c1-8(15)12-5-6-16-10-4-2-3-9(7-10)13-14-11/h2-4,7H,5-6H2,1H3,(H,12,15)
InChIKeyMOQHWDDGLHZZHP-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(3-azidophenoxy)ethyl]acetamide

N-[2-(3-azidophenoxy)ethyl]acetamide (PubChem CID 151103668) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[2-(3-azidophenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-azidophenoxy)ethyl]acetamide
PubChem CID151103668
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[2-(3-azidophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C10H12N4O2/c1-8(15)12-5-6-16-10-4-2-3-9(7-10)13-14-11/h2-4,7H,5-6H2,1H3,(H,12,15)
InChIKeyMOQHWDDGLHZZHP-UHFFFAOYSA-N
XLogP2.14
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
N-[3-[3-(3-aminophenyl)phenoxy]propyl]acetamide
CID 162362116
N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
CID 20567171
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(4-bromo-3-methylphenoxy)ethyl]acetamide
CID 163375220
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
N-[3-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethoxy]phenyl]acetamide
CID 110966880
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-azidophenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(3-azidophenoxy)ethyl]acetamide (CID 151103668) is N-[2-(3-azidophenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-azidophenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(3-azidophenoxy)ethyl]acetamide is CC(=O)NCCOc1cccc(N=[N+]=[N-])c1.
What is the InChIKey of N-[2-(3-azidophenoxy)ethyl]acetamide?
The InChIKey is MOQHWDDGLHZZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-8(15)12-5-6-16-10-4-2-3-9(7-10)13-14-11/h2-4,7H,5-6H2,1H3,(H,12,15).
What are the key properties of N-[2-(3-azidophenoxy)ethyl]acetamide?
N-[2-(3-azidophenoxy)ethyl]acetamide has a molecular weight of 220.23 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-azidophenoxy)ethyl]acetamide is sourced from PubChem (CID 151103668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).