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

C12H18ClN3O2 — CID 119508553

IUPAC4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-14-7-8-15-12(17)10-5-3-9(4-6-10)11(13)16;/h3-6,14H,2,7-8H2,1H3,(H2,13,16)(H,15,17);1H
InChIKeyCXGSKSWGWMXCAY-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.55
Rot. Bonds6

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

4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119508553) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
PubChem CID119508553
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-14-7-8-15-12(17)10-5-3-9(4-6-10)11(13)16;/h3-6,14H,2,7-8H2,1H3,(H2,13,16)(H,15,17);1H
InChIKeyCXGSKSWGWMXCAY-UHFFFAOYSA-N
XLogP0.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119508865
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride (CID 119508553) is 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride is CCNCCNC(=O)c1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is CXGSKSWGWMXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-2-14-7-8-15-12(17)10-5-3-9(4-6-10)11(13)16;/h3-6,14H,2,7-8H2,1H3,(H2,13,16)(H,15,17);1H.
What are the key properties of 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride?
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119508553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).