N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide

C19H23NO2 — CID 4945346

IUPACN-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C19H23NO2/c1-13(2)12-22-18-8-6-5-7-17(18)19(21)20-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyZBFYEHKTJBLOSN-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.59
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide

N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide (PubChem CID 4945346) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
PubChem CID4945346
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C19H23NO2/c1-13(2)12-22-18-8-6-5-7-17(18)19(21)20-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyZBFYEHKTJBLOSN-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
2-[2-(tert-butylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 1313364
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide (CID 4945346) is N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide is Cc1cc(C)cc(NC(=O)c2ccccc2OCC(C)C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide?
The InChIKey is ZBFYEHKTJBLOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(2)12-22-18-8-6-5-7-17(18)19(21)20-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide?
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4945346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).