2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide

C12H17N5O2 — CID 175505955

IUPAC2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccccc1OCCN
InChIInChI=1S/C12H17N5O2/c13-6-9-19-11-5-2-1-4-10(11)12(18)15-7-3-8-16-17-14/h1-2,4-5H,3,6-9,13H2,(H,15,18)
InChIKeyVWCCZHLPIXVABB-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.45
Rot. Bonds8

About 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide

2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide (PubChem CID 175505955) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide
PubChem CID175505955
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccccc1OCCN
InChIInChI=1S/C12H17N5O2/c13-6-9-19-11-5-2-1-4-10(11)12(18)15-7-3-8-16-17-14/h1-2,4-5H,3,6-9,13H2,(H,15,18)
InChIKeyVWCCZHLPIXVABB-UHFFFAOYSA-N
XLogP1.45
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.45
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-azidopropoxy)benzamide
CID 61396560
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-propoxy-N-propylbenzamide
CID 58831728
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
CID 119407971
N-(3-azidopropyl)-2-methoxy-5-methylbenzamide
CID 62503381
N-(3-azidopropyl)-2,4,5-trimethoxybenzamide
CID 61344554
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
methyl 2-(2-aminoethoxy)benzoate
CID 14273287

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide (CID 175505955) is 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide is [N-]=[N+]=NCCCNC(=O)c1ccccc1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide?
The InChIKey is VWCCZHLPIXVABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-6-9-19-11-5-2-1-4-10(11)12(18)15-7-3-8-16-17-14/h1-2,4-5H,3,6-9,13H2,(H,15,18).
What are the key properties of 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide?
2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide has a molecular weight of 263.30 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide is sourced from PubChem (CID 175505955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).