2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide

C20H26N2O — CID 25179562

IUPAC2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide
SMILESCCN(CC)C(=O)c1c(C)cccc1N(C)c1ccccc1C
InChIInChI=1S/C20H26N2O/c1-6-22(7-2)20(23)19-16(4)12-10-14-18(19)21(5)17-13-9-8-11-15(17)3/h8-14H,6-7H2,1-5H3
InChIKeyCYTJLYDEDWYTOQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.55
Rot. Bonds5

About 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide

2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide (PubChem CID 25179562) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide.

Molecular Properties

Compound Name2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide
PubChem CID25179562
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide
SMILESCCN(CC)C(=O)c1c(C)cccc1N(C)c1ccccc1C
InChIInChI=1S/C20H26N2O/c1-6-22(7-2)20(23)19-16(4)12-10-14-18(19)21(5)17-13-9-8-11-15(17)3/h8-14H,6-7H2,1-5H3
InChIKeyCYTJLYDEDWYTOQ-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide
CID 25180158
N,N-diethyl-2-(N,2,3-trimethylanilino)benzamide
CID 25179558
2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide
CID 67628353
N,N-diethyl-2-methyl-6-propanoylbenzamide
CID 15867089
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
N,N-diethyl-2-(N-methylanilino)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 102175312
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
CID 110855138
[2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate
CID 68690838
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818

Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide?
The IUPAC name of 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide (CID 25179562) is 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide.
What is the SMILES notation for 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide?
The canonical SMILES for 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide is CCN(CC)C(=O)c1c(C)cccc1N(C)c1ccccc1C.
What is the InChIKey of 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide?
The InChIKey is CYTJLYDEDWYTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-6-22(7-2)20(23)19-16(4)12-10-14-18(19)21(5)17-13-9-8-11-15(17)3/h8-14H,6-7H2,1-5H3.
What are the key properties of 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide?
2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide has a molecular weight of 310.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide is sourced from PubChem (CID 25179562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).