2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide

C13H19N5O2 — CID 66188947

IUPAC2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
SMILESCOCc1ccccc1C(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H19N5O2/c1-20-9-10-5-2-3-6-11(10)12(13(14)19)16-7-4-8-17-18-15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H2,14,19)
InChIKeyHCUUCWBLBRHYTK-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.65
Rot. Bonds9

About 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide

2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide (PubChem CID 66188947) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
PubChem CID66188947
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
SMILESCOCc1ccccc1C(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H19N5O2/c1-20-9-10-5-2-3-6-11(10)12(13(14)19)16-7-4-8-17-18-15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H2,14,19)
InChIKeyHCUUCWBLBRHYTK-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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-ethoxyphenyl)acetamide
CID 66165772
2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
CID 66166388
2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide
CID 66164945
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 66167007
methyl 2-(3-azidopropylamino)-2-(4-fluorophenyl)acetate
CID 66190896
N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide
CID 166283005
methyl 2-(3-azidopropylamino)-2-(4-fluoro-2-methylphenyl)acetate
CID 66189317
2-(2-hydroxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 116684995
ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
CID 66190436
methyl 2-(2-azidoethylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 66189224

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide?
The IUPAC name of 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide (CID 66188947) is 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide is COCc1ccccc1C(NCCCN=[N+]=[N-])C(N)=O.
What is the InChIKey of 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide?
The InChIKey is HCUUCWBLBRHYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-20-9-10-5-2-3-6-11(10)12(13(14)19)16-7-4-8-17-18-15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H2,14,19).
What are the key properties of 2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide?
2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide has a molecular weight of 277.33 g/mol, XLogP of 1.65, 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-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 66188947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).