2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C22H29NO2 — CID 92683587

IUPAC2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29NO2/c1-15(2)12-21(19-8-10-20(25-5)11-9-19)23-22(24)14-18-7-6-16(3)17(4)13-18/h6-11,13,15,21H,12,14H2,1-5H3,(H,23,24)/t21-/m1/s1
InChIKeyNPFDXBVSJSUWJP-OAQYLSRUSA-N
MW339.48 g/mol
LogP4.76
Rot. Bonds7

About 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 92683587) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID92683587
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29NO2/c1-15(2)12-21(19-8-10-20(25-5)11-9-19)23-22(24)14-18-7-6-16(3)17(4)13-18/h6-11,13,15,21H,12,14H2,1-5H3,(H,23,24)/t21-/m1/s1
InChIKeyNPFDXBVSJSUWJP-OAQYLSRUSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 133210929
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
2-(4-bromo-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92679472
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46778602
2-(3,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 132760177
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46770370
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 92683587) is 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is NPFDXBVSJSUWJP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29NO2/c1-15(2)12-21(19-8-10-20(25-5)11-9-19)23-22(24)14-18-7-6-16(3)17(4)13-18/h6-11,13,15,21H,12,14H2,1-5H3,(H,23,24)/t21-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 92683587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).