N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide

C20H25NO2 — CID 112795580

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-13-6-7-18(23-5)17(12-13)8-9-21-20(22)19-15(3)10-14(2)11-16(19)4/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)
InChIKeyRAFUXENSXFTWTL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.90
Rot. Bonds5

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide (PubChem CID 112795580) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
PubChem CID112795580
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-13-6-7-18(23-5)17(12-13)8-9-21-20(22)19-15(3)10-14(2)11-16(19)4/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)
InChIKeyRAFUXENSXFTWTL-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41309125
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
3-bromo-4-hydroxy-5-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 24550494
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31590226
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
CID 26457205
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 35860687
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide (CID 112795580) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide is COc1ccc(C)cc1CCNC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide?
The InChIKey is RAFUXENSXFTWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-6-7-18(23-5)17(12-13)8-9-21-20(22)19-15(3)10-14(2)11-16(19)4/h6-7,10-12H,8-9H2,1-5H3,(H,21,22).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 112795580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).