N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

C23H31N3O3 — CID 9287622

IUPACN-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(CN(C)C(=O)CN(C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-29-20-12-10-19(11-13-20)14-26(5)23(28)16-25(4)15-22(27)24-21-9-7-8-17(2)18(21)3/h7-13H,6,14-16H2,1-5H3,(H,24,27)
InChIKeyPJPCJFPFAJFIME-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.23
Rot. Bonds9

About N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 9287622) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID9287622
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(CN(C)C(=O)CN(C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-29-20-12-10-19(11-13-20)14-26(5)23(28)16-25(4)15-22(27)24-21-9-7-8-17(2)18(21)3/h7-13H,6,14-16H2,1-5H3,(H,24,27)
InChIKeyPJPCJFPFAJFIME-UHFFFAOYSA-N
XLogP3.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553110
N-(2,6-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8695010
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553314
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (CID 9287622) is N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is CCOc1ccc(CN(C)C(=O)CN(C)CC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is PJPCJFPFAJFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-29-20-12-10-19(11-13-20)14-26(5)23(28)16-25(4)15-22(27)24-21-9-7-8-17(2)18(21)3/h7-13H,6,14-16H2,1-5H3,(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9287622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).