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

C15H27Cl2N3O2 — CID 119506204

IUPAC2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1ccccc1OCCN(C)C.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-4-16-9-10-17-15(19)13-7-5-6-8-14(13)20-12-11-18(2)3;;/h5-8,16H,4,9-12H2,1-3H3,(H,17,19);2*1H
InChIKeyMTIAVVRABJGNIJ-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.81
Rot. Bonds9

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

2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 119506204) has the molecular formula C15H27Cl2N3O2 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
PubChem CID119506204
Molecular FormulaC15H27Cl2N3O2
Molecular Weight352.31 g/mol
Exact Mass351.15
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1ccccc1OCCN(C)C.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-4-16-9-10-17-15(19)13-7-5-6-8-14(13)20-12-11-18(2)3;;/h5-8,16H,4,9-12H2,1-3H3,(H,17,19);2*1H
InChIKeyMTIAVVRABJGNIJ-UHFFFAOYSA-N
XLogP1.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.81
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

2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
CID 119431025
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
CID 86991961
2-propoxy-N-propylbenzamide
CID 58831728
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride (CID 119506204) is 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride is CCNCCNC(=O)c1ccccc1OCCN(C)C.Cl.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is MTIAVVRABJGNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.2ClH/c1-4-16-9-10-17-15(19)13-7-5-6-8-14(13)20-12-11-18(2)3;;/h5-8,16H,4,9-12H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride?
2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119506204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).