2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide

C13H19N5O2 — CID 66165772

IUPAC2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1C(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H19N5O2/c1-2-20-11-7-4-3-6-10(11)12(13(14)19)16-8-5-9-17-18-15/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H2,14,19)
InChIKeyNVLKWSMYZFGDKK-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.90
Rot. Bonds9

About 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide

2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide (PubChem CID 66165772) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
PubChem CID66165772
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1C(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H19N5O2/c1-2-20-11-7-4-3-6-10(11)12(13(14)19)16-8-5-9-17-18-15/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H2,14,19)
InChIKeyNVLKWSMYZFGDKK-UHFFFAOYSA-N
XLogP1.90
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
CID 66188947
2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide
CID 66164945
ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
CID 66190436
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
CID 66166388
methyl 2-(3-azidopropylamino)-2-(4-fluorophenyl)acetate
CID 66190896
2-(2-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 60997221
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
2-(cyclohexylamino)-2-(2-ethoxyphenyl)acetamide
CID 60997548
methyl 2-(3-azidopropylamino)-2-(4-fluoro-2-methylphenyl)acetate
CID 66189317
ethyl 2-(3-azidopropylamino)-2-(2,5-dimethylthiophen-3-yl)acetate
CID 66190132

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide (CID 66165772) is 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide is CCOc1ccccc1C(NCCCN=[N+]=[N-])C(N)=O.
What is the InChIKey of 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide?
The InChIKey is NVLKWSMYZFGDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-20-11-7-4-3-6-10(11)12(13(14)19)16-8-5-9-17-18-15/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H2,14,19).
What are the key properties of 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide?
2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide has a molecular weight of 277.33 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 66165772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).