N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide

C20H26N2O3 — CID 109040578

IUPACN-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3/c1-5-22(17-8-6-7-15(2)13-17)12-11-20(23)21-16-9-10-18(24-3)19(14-16)25-4/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyHPUPBGVUPKKRBH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.87
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide

N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide (PubChem CID 109040578) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
PubChem CID109040578
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3/c1-5-22(17-8-6-7-15(2)13-17)12-11-20(23)21-16-9-10-18(24-3)19(14-16)25-4/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyHPUPBGVUPKKRBH-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108956025
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041935
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(5-acetyl-2-methoxyphenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 39910739

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide (CID 109040578) is N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide is CCN(CCC(=O)Nc1ccc(OC)c(OC)c1)c1cccc(C)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
The InChIKey is HPUPBGVUPKKRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-22(17-8-6-7-15(2)13-17)12-11-20(23)21-16-9-10-18(24-3)19(14-16)25-4/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide is sourced from PubChem (CID 109040578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).