3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide

C23H32N2O3 — CID 1069133

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc(CCN(C)CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C23H32N2O3/c1-16-13-17(2)23(18(3)14-16)24-22(26)10-12-25(4)11-9-19-7-8-20(27-5)21(15-19)28-6/h7-8,13-15H,9-12H2,1-6H3,(H,24,26)
InChIKeyXRRKZFOXIIRDEC-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.13
Rot. Bonds9

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

3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 1069133) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID1069133
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc(CCN(C)CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C23H32N2O3/c1-16-13-17(2)23(18(3)14-16)24-22(26)10-12-25(4)11-9-19-7-8-20(27-5)21(15-19)28-6/h7-8,13-15H,9-12H2,1-6H3,(H,24,26)
InChIKeyXRRKZFOXIIRDEC-UHFFFAOYSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butylamino)-6,7-dimethoxynaphthalen-2-yl]acetamide
CID 2253328
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2891286
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920590
1-(4-tert-butylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 5133943
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54683760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54706880
(4R)-6-(3,4-dimethoxyphenyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277993
3-[[(4-tert-butylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 142441599
N-(2,4-Dimethyl-phenyl)-N-(2-hydroxy-6-methoxy-quinolin-3-ylmethyl)-propionamide
CID 645622
Pyrrolidine-1-carboxylic acid [2-(3,4-dimethoxy-phenyl)-ethyl]-(6-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide
CID 646367
Pyrrolidine-1-carboxylic acid [2-(3,4-dimethoxy-phenyl)-ethyl]-(8-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide
CID 650755
2-[2-ethoxy-4-(1-pyrrolidinylcarbonothioyl)phenoxy]-N-mesitylacetamide
CID 1294802

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide (CID 1069133) is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide is COc1ccc(CCN(C)CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is XRRKZFOXIIRDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-16-13-17(2)23(18(3)14-16)24-22(26)10-12-25(4)11-9-19-7-8-20(27-5)21(15-19)28-6/h7-8,13-15H,9-12H2,1-6H3,(H,24,26).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide?
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 384.52 g/mol, XLogP of 4.13, 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-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 1069133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).