4-[2-(2-aminoethoxy)ethoxy]benzamide

C11H16N2O3 — CID 82146872

IUPAC4-[2-(2-aminoethoxy)ethoxy]benzamide
SMILESNCCOCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16N2O3/c12-5-6-15-7-8-16-10-3-1-9(2-4-10)11(13)14/h1-4H,5-8,12H2,(H2,13,14)
InChIKeyJPMKMAKADQIKSV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.14
Rot. Bonds7

About 4-[2-(2-aminoethoxy)ethoxy]benzamide

4-[2-(2-aminoethoxy)ethoxy]benzamide (PubChem CID 82146872) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)ethoxy]benzamide
PubChem CID82146872
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[2-(2-aminoethoxy)ethoxy]benzamide
SMILESNCCOCCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16N2O3/c12-5-6-15-7-8-16-10-3-1-9(2-4-10)11(13)14/h1-4H,5-8,12H2,(H2,13,14)
InChIKeyJPMKMAKADQIKSV-UHFFFAOYSA-N
XLogP0.14
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 61076061
[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 131801564
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
N-[4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]hydroxylamine
CID 177015138
4-(4-propoxyphenyl)benzamide
CID 23771495
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
4-(4,4,4-trifluorobutoxy)benzamide
CID 169016567
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 171705519

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]benzamide?
The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]benzamide (CID 82146872) is 4-[2-(2-aminoethoxy)ethoxy]benzamide.
What is the SMILES notation for 4-[2-(2-aminoethoxy)ethoxy]benzamide?
The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]benzamide is NCCOCCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(2-aminoethoxy)ethoxy]benzamide?
The InChIKey is JPMKMAKADQIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-5-6-15-7-8-16-10-3-1-9(2-4-10)11(13)14/h1-4H,5-8,12H2,(H2,13,14).
What are the key properties of 4-[2-(2-aminoethoxy)ethoxy]benzamide?
4-[2-(2-aminoethoxy)ethoxy]benzamide has a molecular weight of 224.26 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)ethoxy]benzamide is sourced from PubChem (CID 82146872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).