N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide

C21H26N2O5 — CID 112996998

IUPACN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H26N2O5/c1-6-14-9-7-8-13(2)19(14)23-18(24)12-22-21(25)15-10-16(26-3)20(28-5)17(11-15)27-4/h7-11H,6,12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyNWXVVYHKIWWQGA-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.95
Rot. Bonds8

About N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 112996998) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID112996998
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H26N2O5/c1-6-14-9-7-8-13(2)19(14)23-18(24)12-22-21(25)15-10-16(26-3)20(28-5)17(11-15)27-4/h7-11H,6,12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyNWXVVYHKIWWQGA-UHFFFAOYSA-N
XLogP2.95
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 112996998) is N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide is CCc1cccc(C)c1NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is NWXVVYHKIWWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-6-14-9-7-8-13(2)19(14)23-18(24)12-22-21(25)15-10-16(26-3)20(28-5)17(11-15)27-4/h7-11H,6,12H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 112996998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).