2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

C13H21ClN2O2 — CID 119508383

IUPAC2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1OCC.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-14-9-10-15-13(16)11-7-5-6-8-12(11)17-4-2;/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16);1H
InChIKeyPJJVJOXEELBWCT-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.85
Rot. Bonds7

About 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (PubChem CID 119508383) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
PubChem CID119508383
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccccc1OCC.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-14-9-10-15-13(16)11-7-5-6-8-12(11)17-4-2;/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16);1H
InChIKeyPJJVJOXEELBWCT-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.85
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

2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
CID 119506204
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
CID 119505079
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (CID 119508383) is 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is CCNCCNC(=O)c1ccccc1OCC.Cl.
What is the InChIKey of 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The InChIKey is PJJVJOXEELBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-3-14-9-10-15-13(16)11-7-5-6-8-12(11)17-4-2;/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119508383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).