N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide

C11H14N4O2 — CID 95936669

IUPACN-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCN=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4O2/c1-9-2-4-10(5-3-9)17-8-11(16)13-6-7-14-15-12/h2-5H,6-8H2,1H3,(H,13,16)
InChIKeyNPOFCAWJEYJGMP-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.80
Rot. Bonds6

About N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide

N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide (PubChem CID 95936669) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
PubChem CID95936669
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCN=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4O2/c1-9-2-4-10(5-3-9)17-8-11(16)13-6-7-14-15-12/h2-5H,6-8H2,1H3,(H,13,16)
InChIKeyNPOFCAWJEYJGMP-UHFFFAOYSA-N
XLogP1.80
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.80
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-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide (CID 95936669) is N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCN=[N+]=[N-])cc1.
What is the InChIKey of N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is NPOFCAWJEYJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-9-2-4-10(5-3-9)17-8-11(16)13-6-7-14-15-12/h2-5H,6-8H2,1H3,(H,13,16).
What are the key properties of N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide?
N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 234.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 95936669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).