2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide

C21H27N3O4 — CID 131951466

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(=O)CN(C)C)c(C)c2)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-14-10-16(7-9-18(14)23-21(26)13-24(2)3)22-20(25)11-15-6-8-17(27-4)12-19(15)28-5/h6-10,12H,11,13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyJXYFZRHUFFWTOW-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.69
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide (PubChem CID 131951466) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide
PubChem CID131951466
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(=O)CN(C)C)c(C)c2)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-14-10-16(7-9-18(14)23-21(26)13-24(2)3)22-20(25)11-15-6-8-17(27-4)12-19(15)28-5/h6-10,12H,11,13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyJXYFZRHUFFWTOW-UHFFFAOYSA-N
XLogP2.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 9427797
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
2-(2,4-dimethoxyphenyl)-N-[4-(methoxymethyl)phenyl]acetamide;ethane
CID 143433309
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
2-(2,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 17457100
2-[4-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55610566
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide (CID 131951466) is 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(NC(=O)CN(C)C)c(C)c2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide?
The InChIKey is JXYFZRHUFFWTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-10-16(7-9-18(14)23-21(26)13-24(2)3)22-20(25)11-15-6-8-17(27-4)12-19(15)28-5/h6-10,12H,11,13H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]acetamide is sourced from PubChem (CID 131951466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).