N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

C20H24N2O4 — CID 112996997

IUPACN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-5-14-8-6-7-13(2)19(14)22-18(23)12-21-20(24)15-9-10-16(25-3)17(11-15)26-4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyGZOISHHVEDABCU-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 112996997) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID112996997
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-5-14-8-6-7-13(2)19(14)22-18(23)12-21-20(24)15-9-10-16(25-3)17(11-15)26-4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyGZOISHHVEDABCU-UHFFFAOYSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
N-[3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902773
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
CID 55320823
N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 112996997) is N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is CCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is GZOISHHVEDABCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-14-8-6-7-13(2)19(14)22-18(23)12-21-20(24)15-9-10-16(25-3)17(11-15)26-4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 112996997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).