2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide

C18H22N2O2 — CID 86991936

IUPAC2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2OCCN(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-6-8-15(13-14)19-18(21)16-9-4-5-10-17(16)22-12-11-20(2)3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyRKKFLWIHQHDVHZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.19
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide

2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide (PubChem CID 86991936) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
PubChem CID86991936
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2OCCN(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-6-8-15(13-14)19-18(21)16-9-4-5-10-17(16)22-12-11-20(2)3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyRKKFLWIHQHDVHZ-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959465
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 163510336
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55960659
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide (CID 86991936) is 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2OCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide?
The InChIKey is RKKFLWIHQHDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-6-8-15(13-14)19-18(21)16-9-4-5-10-17(16)22-12-11-20(2)3/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide?
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 86991936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).