3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide

C22H30N2O3 — CID 1339666

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCOc1ccc(CCN(C)CCC(=O)Nc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-16-6-7-17(2)19(14-16)23-22(25)11-13-24(3)12-10-18-8-9-20(26-4)21(15-18)27-5/h6-9,14-15H,10-13H2,1-5H3,(H,23,25)
InChIKeyHNJHNQNQFOADIN-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.82
Rot. Bonds9

About 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide

3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 1339666) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID1339666
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCOc1ccc(CCN(C)CCC(=O)Nc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C22H30N2O3/c1-16-6-7-17(2)19(14-16)23-22(25)11-13-24(3)12-10-18-8-9-20(26-4)21(15-18)27-5/h6-9,14-15H,10-13H2,1-5H3,(H,23,25)
InChIKeyHNJHNQNQFOADIN-UHFFFAOYSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.82
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-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide (CID 1339666) is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide is COc1ccc(CCN(C)CCC(=O)Nc2cc(C)ccc2C)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is HNJHNQNQFOADIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-6-7-17(2)19(14-16)23-22(25)11-13-24(3)12-10-18-8-9-20(26-4)21(15-18)27-5/h6-9,14-15H,10-13H2,1-5H3,(H,23,25).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide?
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 370.49 g/mol, XLogP of 3.82, 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-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 1339666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).