1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride

C14H22ClN3O2 — CID 119508865

IUPAC1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C(=O)N(C)C)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-4-15-9-10-16-13(18)11-5-7-12(8-6-11)14(19)17(2)3;/h5-8,15H,4,9-10H2,1-3H3,(H,16,18);1H
InChIKeyICRLJSQEZKLWAU-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.15
Rot. Bonds6

About 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride

1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119508865) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
PubChem CID119508865
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C(=O)N(C)C)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-4-15-9-10-16-13(18)11-5-7-12(8-6-11)14(19)17(2)3;/h5-8,15H,4,9-10H2,1-3H3,(H,16,18);1H
InChIKeyICRLJSQEZKLWAU-UHFFFAOYSA-N
XLogP1.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.15
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

4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
CID 119504655
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
4-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115013

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride (CID 119508865) is 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride is CCNCCNC(=O)c1ccc(C(=O)N(C)C)cc1.Cl.
What is the InChIKey of 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is ICRLJSQEZKLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-4-15-9-10-16-13(18)11-5-7-12(8-6-11)14(19)17(2)3;/h5-8,15H,4,9-10H2,1-3H3,(H,16,18);1H.
What are the key properties of 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119508865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).