N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride

C16H27ClN2O — CID 53439298

IUPACN-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-6-18(7-2)9-8-17-16(19)15-13(4)10-12(3)11-14(15)5;/h10-11H,6-9H2,1-5H3,(H,17,19);1H
InChIKeyQKZRSLWEWLRUOS-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride

N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride (PubChem CID 53439298) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
PubChem CID53439298
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-6-18(7-2)9-8-17-16(19)15-13(4)10-12(3)11-14(15)5;/h10-11H,6-9H2,1-5H3,(H,17,19);1H
InChIKeyQKZRSLWEWLRUOS-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide
CID 61128957
N-(diethylaminomethyl)-2,6-dimethyl-4-(2-methylbutan-2-yl)benzamide
CID 71038606
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride (CID 53439298) is N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride is CCN(CC)CCNC(=O)c1c(C)cc(C)cc1C.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride?
The InChIKey is QKZRSLWEWLRUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-6-18(7-2)9-8-17-16(19)15-13(4)10-12(3)11-14(15)5;/h10-11H,6-9H2,1-5H3,(H,17,19);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride?
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 53439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).