3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide

C20H26N2O3 — CID 109023106

IUPAC3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)13-12-20(23)21-17-10-11-18(24-2)19(14-17)25-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)
InChIKeySSDIAMXWCVJECK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.55
Rot. Bonds9

About 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide

3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 109023106) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID109023106
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)13-12-20(23)21-17-10-11-18(24-2)19(14-17)25-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)
InChIKeySSDIAMXWCVJECK-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-(3,5-dimethoxyphenyl)propanamide
CID 1340180
methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023114
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-(5-amino-2-methoxyphenyl)-4-[benzyl(ethyl)amino]butanamide
CID 113222024
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide (CID 109023106) is 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide is CCN(CCC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is SSDIAMXWCVJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-22(15-16-8-6-5-7-9-16)13-12-20(23)21-17-10-11-18(24-2)19(14-17)25-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23).
What are the key properties of 3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
3-[benzyl(ethyl)amino]-N-(3,4-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-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109023106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).