2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C20H32N4O3 — CID 16577096

IUPAC2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOCCN1CCN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C20H32N4O3/c1-15-11-16(2)20(17(3)12-15)22-18(25)13-21-19(26)14-24-7-5-23(6-8-24)9-10-27-4/h11-12H,5-10,13-14H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyDXIGZMSNFBODTB-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.93
Rot. Bonds8

About 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 16577096) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID16577096
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOCCN1CCN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C20H32N4O3/c1-15-11-16(2)20(17(3)12-15)22-18(25)13-21-19(26)14-24-7-5-23(6-8-24)9-10-27-4/h11-12H,5-10,13-14H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyDXIGZMSNFBODTB-UHFFFAOYSA-N
XLogP0.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-morpholin-4-ylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27135445
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
2-[[2-[3-(methylamino)piperidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119918211
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86923497
2-[[2-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 96522491
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 16577096) is 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is COCCN1CCN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DXIGZMSNFBODTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-11-16(2)20(17(3)12-15)22-18(25)13-21-19(26)14-24-7-5-23(6-8-24)9-10-27-4/h11-12H,5-10,13-14H2,1-4H3,(H,21,26)(H,22,25).
What are the key properties of 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 16577096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).