3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide

C13H20N2O2 — CID 55090903

IUPAC3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C13H20N2O2/c1-2-17-9-8-15-13(16)12-5-3-4-11(10-12)6-7-14/h3-5,10H,2,6-9,14H2,1H3,(H,15,16)
InChIKeyJSHDODQYNOQJGI-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.95
Rot. Bonds7

About 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide

3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide (PubChem CID 55090903) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
PubChem CID55090903
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C13H20N2O2/c1-2-17-9-8-15-13(16)12-5-3-4-11(10-12)6-7-14/h3-5,10H,2,6-9,14H2,1H3,(H,15,16)
InChIKeyJSHDODQYNOQJGI-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63697515
3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 106333123
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
CID 113487169
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-(cyanomethyl)-N-(3-ethoxypropyl)benzamide
CID 82179019
methyl 3-(2-aminoethyl)benzoate
CID 10511548
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide (CID 55090903) is 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide is CCOCCNC(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide?
The InChIKey is JSHDODQYNOQJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-9-8-15-13(16)12-5-3-4-11(10-12)6-7-14/h3-5,10H,2,6-9,14H2,1H3,(H,15,16).
What are the key properties of 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide?
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide is sourced from PubChem (CID 55090903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).