N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide

C21H27NO2 — CID 133202746

IUPACN-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27NO2/c1-14(2)12-20(17-8-10-19(24-5)11-9-17)22-21(23)18-7-6-15(3)16(4)13-18/h6-11,13-14,20H,12H2,1-5H3,(H,22,23)
InChIKeyZDLCLNAKHKRQLF-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.83
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide

N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide (PubChem CID 133202746) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
PubChem CID133202746
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27NO2/c1-14(2)12-20(17-8-10-19(24-5)11-9-17)22-21(23)18-7-6-15(3)16(4)13-18/h6-11,13-14,20H,12H2,1-5H3,(H,22,23)
InChIKeyZDLCLNAKHKRQLF-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 94020007
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide (CID 133202746) is N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide is COc1ccc(C(CC(C)C)NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide?
The InChIKey is ZDLCLNAKHKRQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14(2)12-20(17-8-10-19(24-5)11-9-17)22-21(23)18-7-6-15(3)16(4)13-18/h6-11,13-14,20H,12H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide?
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide has a molecular weight of 325.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 133202746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).