3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide

C21H27NO4 — CID 55395267

IUPAC3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
SMILESCOc1ccc(C(NC(=O)c2cc(OC)c(C)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C21H27NO4/c1-13(2)20(15-7-9-17(24-4)10-8-15)22-21(23)16-11-18(25-5)14(3)19(12-16)26-6/h7-13,20H,1-6H3,(H,22,23)
InChIKeyLCEWWSXIUAPBGB-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.15
Rot. Bonds7

About 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide

3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide (PubChem CID 55395267) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
PubChem CID55395267
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
SMILESCOc1ccc(C(NC(=O)c2cc(OC)c(C)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C21H27NO4/c1-13(2)20(15-7-9-17(24-4)10-8-15)22-21(23)16-11-18(25-5)14(3)19(12-16)26-6/h7-13,20H,1-6H3,(H,22,23)
InChIKeyLCEWWSXIUAPBGB-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
N-[1-(4-methoxyphenyl)-2-methylpropyl]-5-methylthiophene-2-carboxamide
CID 60605702
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18151097
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048728
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide (CID 55395267) is 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide is COc1ccc(C(NC(=O)c2cc(OC)c(C)c(OC)c2)C(C)C)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide?
The InChIKey is LCEWWSXIUAPBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-13(2)20(15-7-9-17(24-4)10-8-15)22-21(23)16-11-18(25-5)14(3)19(12-16)26-6/h7-13,20H,1-6H3,(H,22,23).
What are the key properties of 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide?
3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide has a molecular weight of 357.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 55395267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).