N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride

C13H21ClN2O — CID 119506515

IUPACN-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-14-5-6-15-13(16)12-8-10(2)7-11(3)9-12;/h7-9,14H,4-6H2,1-3H3,(H,15,16);1H
InChIKeyJMXINQTZXAIUHI-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride

N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride (PubChem CID 119506515) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
PubChem CID119506515
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-14-5-6-15-13(16)12-8-10(2)7-11(3)9-12;/h7-9,14H,4-6H2,1-3H3,(H,15,16);1H
InChIKeyJMXINQTZXAIUHI-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
3-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 115999730
1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119508865
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
N-(3-amino-3-sulfanylidenepropyl)-3,5-dimethylbenzamide
CID 62667254
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
N-(6-iodohexyl)-3,5-dimethylbenzamide
CID 107848408
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride (CID 119506515) is N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride is CCNCCNC(=O)c1cc(C)cc(C)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride?
The InChIKey is JMXINQTZXAIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-4-14-5-6-15-13(16)12-8-10(2)7-11(3)9-12;/h7-9,14H,4-6H2,1-3H3,(H,15,16);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119506515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).