N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide

C23H31N3O3 — CID 55628358

IUPACN-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
SMILESCOc1ccccc1C(C)N(C)CC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C23H31N3O3/c1-16-10-9-11-17(2)23(16)24-21(27)14-26(5)22(28)15-25(4)18(3)19-12-7-8-13-20(19)29-6/h7-13,18H,14-15H2,1-6H3,(H,24,27)
InChIKeyRLWKJKGRLNWTHL-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.40
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide (PubChem CID 55628358) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
PubChem CID55628358
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
SMILESCOc1ccccc1C(C)N(C)CC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C23H31N3O3/c1-16-10-9-11-17(2)23(16)24-21(27)14-26(5)22(28)15-25(4)18(3)19-12-7-8-13-20(19)29-6/h7-13,18H,14-15H2,1-6H3,(H,24,27)
InChIKeyRLWKJKGRLNWTHL-UHFFFAOYSA-N
XLogP3.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
CID 27535607
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 8598670
2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221876
ethyl 2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46482700

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide (CID 55628358) is N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide is COc1ccccc1C(C)N(C)CC(=O)N(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
The InChIKey is RLWKJKGRLNWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16-10-9-11-17(2)23(16)24-21(27)14-26(5)22(28)15-25(4)18(3)19-12-7-8-13-20(19)29-6/h7-13,18H,14-15H2,1-6H3,(H,24,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 55628358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).