N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide

C19H23NO4 — CID 133160272

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C19H23NO4/c1-12-10-14(6-8-17(12)23-4)19(21)20-13(2)16-11-15(22-3)7-9-18(16)24-5/h6-11,13H,1-5H3,(H,20,21)
InChIKeyLIJFJPHFLLBYBS-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide (PubChem CID 133160272) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
PubChem CID133160272
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C19H23NO4/c1-12-10-14(6-8-17(12)23-4)19(21)20-13(2)16-11-15(22-3)7-9-18(16)24-5/h6-11,13H,1-5H3,(H,20,21)
InChIKeyLIJFJPHFLLBYBS-UHFFFAOYSA-N
XLogP3.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzamide
CID 51207644
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25237075
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide (CID 133160272) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide is COc1ccc(OC)c(C(C)NC(=O)c2ccc(OC)c(C)c2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
The InChIKey is LIJFJPHFLLBYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12-10-14(6-8-17(12)23-4)19(21)20-13(2)16-11-15(22-3)7-9-18(16)24-5/h6-11,13H,1-5H3,(H,20,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 133160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).