N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide

C14H22N2O — CID 171383887

IUPACN-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCN(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-10-6-7-11(2)13(12(10)3)14(17)15-8-9-16(4)5/h6-7H,8-9H2,1-5H3,(H,15,17)
InChIKeyFSTNGTSBUDEUOE-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide

N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide (PubChem CID 171383887) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
PubChem CID171383887
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCN(C)C)c1C
InChIInChI=1S/C14H22N2O/c1-10-6-7-11(2)13(12(10)3)14(17)15-8-9-16(4)5/h6-7H,8-9H2,1-5H3,(H,15,17)
InChIKeyFSTNGTSBUDEUOE-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-[4-(dimethylamino)butylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429022
N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 54380946
N-[2-(dimethylamino)ethyl]-1-formyl-2,4-dimethylpyrrole-3-carboxamide
CID 141062283
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429053
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide (CID 171383887) is N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide is Cc1ccc(C)c(C(=O)NCCN(C)C)c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide?
The InChIKey is FSTNGTSBUDEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-7-11(2)13(12(10)3)14(17)15-8-9-16(4)5/h6-7H,8-9H2,1-5H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide?
N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide is sourced from PubChem (CID 171383887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).