N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide

C23H30N4O3 — CID 8687125

IUPACN-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NCC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H30N4O3/c1-17-7-6-8-19(18(17)2)25-22(28)15-24-23(29)16-26-11-13-27(14-12-26)20-9-4-5-10-21(20)30-3/h4-10H,11-16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyBGOKQZFFOLTVHW-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.19
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide (PubChem CID 8687125) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide
PubChem CID8687125
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NCC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H30N4O3/c1-17-7-6-8-19(18(17)2)25-22(28)15-24-23(29)16-26-11-13-27(14-12-26)20-9-4-5-10-21(20)30-3/h4-10H,11-16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyBGOKQZFFOLTVHW-UHFFFAOYSA-N
XLogP2.19
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide with MolForge

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Related Compounds

N-[(2,3-dimethylphenyl)carbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 9249225
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520
2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8902404
ethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8931960
2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8582755
N-(2-acetamidoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 36845006
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469583
N-(2,3-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53002971
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide (CID 8687125) is N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide is COc1ccccc1N1CCN(CC(=O)NCC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is BGOKQZFFOLTVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-7-6-8-19(18(17)2)25-22(28)15-24-23(29)16-26-11-13-27(14-12-26)20-9-4-5-10-21(20)30-3/h4-10H,11-16H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 410.52 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8687125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).