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

C21H28N2O4 — CID 46478751

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
SMILESCCN(CCNC(=O)c1cc(OC)c(OC)cc1OC)c1ccccc1C
InChIInChI=1S/C21H28N2O4/c1-6-23(17-10-8-7-9-15(17)2)12-11-22-21(24)16-13-19(26-4)20(27-5)14-18(16)25-3/h7-10,13-14H,6,11-12H2,1-5H3,(H,22,24)
InChIKeyKBCVYDHATLZNEF-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.28
Rot. Bonds9

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

N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide (PubChem CID 46478751) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
PubChem CID46478751
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
SMILESCCN(CCNC(=O)c1cc(OC)c(OC)cc1OC)c1ccccc1C
InChIInChI=1S/C21H28N2O4/c1-6-23(17-10-8-7-9-15(17)2)12-11-22-21(24)16-13-19(26-4)20(27-5)14-18(16)25-3/h7-10,13-14H,6,11-12H2,1-5H3,(H,22,24)
InChIKeyKBCVYDHATLZNEF-UHFFFAOYSA-N
XLogP3.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
CID 46470611
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46478502
N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46478529
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 55725310
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
2-methoxyethyl 5-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46478731
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 55725426
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide (CID 46478751) is N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide is CCN(CCNC(=O)c1cc(OC)c(OC)cc1OC)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide?
The InChIKey is KBCVYDHATLZNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-6-23(17-10-8-7-9-15(17)2)12-11-22-21(24)16-13-19(26-4)20(27-5)14-18(16)25-3/h7-10,13-14H,6,11-12H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide has a molecular weight of 372.47 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 46478751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).