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

C21H28N2O4 — CID 8909756

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CCNC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O4/c1-6-23(17-9-7-8-15(2)12-17)11-10-22-21(24)16-13-18(25-3)20(27-5)19(14-16)26-4/h7-9,12-14H,6,10-11H2,1-5H3,(H,22,24)
InChIKeyZMGPTPBMEKYODC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.28
Rot. Bonds9

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

N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 8909756) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID8909756
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CCNC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O4/c1-6-23(17-9-7-8-15(2)12-17)11-10-22-21(24)16-13-18(25-3)20(27-5)19(14-16)26-4/h7-9,12-14H,6,10-11H2,1-5H3,(H,22,24)
InChIKeyZMGPTPBMEKYODC-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

N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3730125
2-(5-acetyl-2-methoxyphenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 39910739
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 134061332
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide (CID 8909756) is N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide is CCN(CCNC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ZMGPTPBMEKYODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-6-23(17-9-7-8-15(2)12-17)11-10-22-21(24)16-13-18(25-3)20(27-5)19(14-16)26-4/h7-9,12-14H,6,10-11H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-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-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 8909756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).