N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide

C18H22N2O — CID 63210459

IUPACN-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2c(C)cccc2C)cc1C
InChIInChI=1S/C18H22N2O/c1-5-19-16-10-9-15(11-14(16)4)18(21)20-17-12(2)7-6-8-13(17)3/h6-11,19H,5H2,1-4H3,(H,20,21)
InChIKeyPEXJMMXNCKQYLG-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.30
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide

N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide (PubChem CID 63210459) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
PubChem CID63210459
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2c(C)cccc2C)cc1C
InChIInChI=1S/C18H22N2O/c1-5-19-16-10-9-15(11-14(16)4)18(21)20-17-12(2)7-6-8-13(17)3/h6-11,19H,5H2,1-4H3,(H,20,21)
InChIKeyPEXJMMXNCKQYLG-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
N-(3,5-dichlorophenyl)-4-(ethylamino)-3-methylbenzamide
CID 63501283
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
4-(ethylamino)-3-methyl-N-thiophen-3-ylbenzamide
CID 66354623
4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide
CID 79046684
4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide
CID 63209394
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 107631262
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide
CID 114389344
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide (CID 63210459) is N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide is CCNc1ccc(C(=O)Nc2c(C)cccc2C)cc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide?
The InChIKey is PEXJMMXNCKQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-5-19-16-10-9-15(11-14(16)4)18(21)20-17-12(2)7-6-8-13(17)3/h6-11,19H,5H2,1-4H3,(H,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide?
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide is sourced from PubChem (CID 63210459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).