3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride

C21H29ClN2O3 — CID 2902679

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCN(C)CCC(=O)Nc2ccc(C)cc2)cc1OC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-16-5-8-18(9-6-16)22-21(24)12-14-23(2)13-11-17-7-10-19(25-3)20(15-17)26-4;/h5-10,15H,11-14H2,1-4H3,(H,22,24);1H
InChIKeyXWYJXSJTTWZAAI-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.94
Rot. Bonds9

About 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride

3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 2902679) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride
PubChem CID2902679
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCN(C)CCC(=O)Nc2ccc(C)cc2)cc1OC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-16-5-8-18(9-6-16)22-21(24)12-14-23(2)13-11-17-7-10-19(25-3)20(15-17)26-4;/h5-10,15H,11-14H2,1-4H3,(H,22,24);1H
InChIKeyXWYJXSJTTWZAAI-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride (CID 2902679) is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride is COc1ccc(CCN(C)CCC(=O)Nc2ccc(C)cc2)cc1OC.Cl.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is XWYJXSJTTWZAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-16-5-8-18(9-6-16)22-21(24)12-14-23(2)13-11-17-7-10-19(25-3)20(15-17)26-4;/h5-10,15H,11-14H2,1-4H3,(H,22,24);1H.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride?
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 2902679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).