2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C22H31ClN2O3 — CID 2831576

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCOc1ccc(CCN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-15-11-16(2)22(17(3)12-15)23-21(25)14-24(4)10-9-18-7-8-19(26-5)20(13-18)27-6;/h7-8,11-13H,9-10,14H2,1-6H3,(H,23,25);1H
InChIKeyAWSVBFKZFGECGU-UHFFFAOYSA-N
MW406.95 g/mol
LogP4.16
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 2831576) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID2831576
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCOc1ccc(CCN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-15-11-16(2)22(17(3)12-15)23-21(25)14-24(4)10-9-18-7-8-19(26-5)20(13-18)27-6;/h7-8,11-13H,9-10,14H2,1-6H3,(H,23,25);1H
InChIKeyAWSVBFKZFGECGU-UHFFFAOYSA-N
XLogP4.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 2831576) is 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is COc1ccc(CCN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC.Cl.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is AWSVBFKZFGECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3.ClH/c1-15-11-16(2)22(17(3)12-15)23-21(25)14-24(4)10-9-18-7-8-19(26-5)20(13-18)27-6;/h7-8,11-13H,9-10,14H2,1-6H3,(H,23,25);1H.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 406.95 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 2831576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).