3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide

C20H26N2O3 — CID 1340180

IUPAC3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)11-10-20(23)21-17-12-18(24-2)14-19(13-17)25-3/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,21,23)
InChIKeyCSVSFHSGBPJYKL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.55
Rot. Bonds9

About 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide

3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 1340180) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID1340180
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)11-10-20(23)21-17-12-18(24-2)14-19(13-17)25-3/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,21,23)
InChIKeyCSVSFHSGBPJYKL-UHFFFAOYSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023114
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
benzyl-[3-(3,5-dimethoxyanilino)-3-oxopropyl]-ethylazanium
CID 7343514
3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide (CID 1340180) is 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide is CCN(CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is CSVSFHSGBPJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)11-10-20(23)21-17-12-18(24-2)14-19(13-17)25-3/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,21,23).
What are the key properties of 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide?
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 1340180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).