N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide

C19H23NO4 — CID 2665532

IUPACN-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C19H23NO4/c1-6-13-9-7-8-12(2)18(13)20-19(21)14-10-16(23-4)17(24-5)11-15(14)22-3/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyIRPONWYXOWARNU-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.84
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide

N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 2665532) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
PubChem CID2665532
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C19H23NO4/c1-6-13-9-7-8-12(2)18(13)20-19(21)14-10-16(23-4)17(24-5)11-15(14)22-3/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyIRPONWYXOWARNU-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 801526
N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30148952
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 2965571
N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide (CID 2665532) is N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide is CCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is IRPONWYXOWARNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-6-13-9-7-8-12(2)18(13)20-19(21)14-10-16(23-4)17(24-5)11-15(14)22-3/h7-11H,6H2,1-5H3,(H,20,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide?
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 2665532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).