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

C13H19N5O2 — CID 66166388

IUPAC2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(C(NCCCN=[N+]=[N-])C(N)=O)c1
InChIInChI=1S/C13H19N5O2/c1-20-9-10-4-2-5-11(8-10)12(13(14)19)16-6-3-7-17-18-15/h2,4-5,8,12,16H,3,6-7,9H2,1H3,(H2,14,19)
InChIKeyHKXYNAZCFPDBIY-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.65
Rot. Bonds9

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

2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide (PubChem CID 66166388) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
PubChem CID66166388
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(C(NCCCN=[N+]=[N-])C(N)=O)c1
InChIInChI=1S/C13H19N5O2/c1-20-9-10-4-2-5-11(8-10)12(13(14)19)16-6-3-7-17-18-15/h2,4-5,8,12,16H,3,6-7,9H2,1H3,(H2,14,19)
InChIKeyHKXYNAZCFPDBIY-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-(methoxymethyl)phenyl]acetamide
CID 66188947
2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 66167007
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 66190099
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide
CID 66164945
methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
CID 66165772
methyl 2-(3-azidopropylamino)-2-(4-bromo-3-methylphenyl)acetate
CID 66478796
methyl 2-(3-azidopropylamino)-2-(4-chloro-3-fluorophenyl)acetate
CID 66190499
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
1-(2-azidoethyl)-3-(methoxymethyl)benzene
CID 150431775
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide?
The IUPAC name of 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide (CID 66166388) is 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide is COCc1cccc(C(NCCCN=[N+]=[N-])C(N)=O)c1.
What is the InChIKey of 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide?
The InChIKey is HKXYNAZCFPDBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-20-9-10-4-2-5-11(8-10)12(13(14)19)16-6-3-7-17-18-15/h2,4-5,8,12,16H,3,6-7,9H2,1H3,(H2,14,19).
What are the key properties of 2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide?
2-(3-azidopropylamino)-2-[3-(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-[3-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 66166388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).