N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide

C13H19N5O3 — CID 14697250

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NCCOCCOCCN)cc1
InChIInChI=1S/C13H19N5O3/c14-5-7-20-9-10-21-8-6-16-13(19)11-1-3-12(4-2-11)17-18-15/h1-4H,5-10,14H2,(H,16,19)
InChIKeyKQSAFYPZDFEGNE-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.35
Rot. Bonds10

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide (PubChem CID 14697250) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
PubChem CID14697250
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NCCOCCOCCN)cc1
InChIInChI=1S/C13H19N5O3/c14-5-7-20-9-10-21-8-6-16-13(19)11-1-3-12(4-2-11)17-18-15/h1-4H,5-10,14H2,(H,16,19)
InChIKeyKQSAFYPZDFEGNE-UHFFFAOYSA-N
XLogP1.35
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride
CID 159167123
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite
CID 144680353
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
4-azidobenzoic acid;4-azido-N-(3-trimethoxysilylpropyl)benzamide;methanol;3-trimethoxysilylpropan-1-amine
CID 162180891
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium
CID 10250562
acetic acid;N-[2-(2-aminoethoxy)ethyl]acetamide;azidobenzene;2-[2-(methylamino)ethoxy]ethanamine;N-[2-[2-(methylamino)ethoxy]ethyl]acetamide;methylsulfanylmethane
CID 162121280

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide (CID 14697250) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide is [N-]=[N+]=Nc1ccc(C(=O)NCCOCCOCCN)cc1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide?
The InChIKey is KQSAFYPZDFEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-5-7-20-9-10-21-8-6-16-13(19)11-1-3-12(4-2-11)17-18-15/h1-4H,5-10,14H2,(H,16,19).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide has a molecular weight of 293.33 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide is sourced from PubChem (CID 14697250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).