2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide

C25H32N6O4 — CID 55627394

IUPAC2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(NC(C)=O)cc3)C(C)C2)cc1
InChIInChI=1S/C25H32N6O4/c1-17-14-30(15-24(34)28-22-8-4-20(5-9-22)26-18(2)32)12-13-31(17)16-25(35)29-23-10-6-21(7-11-23)27-19(3)33/h4-11,17H,12-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35)
InChIKeySENYVGSARDXBBA-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.19
Rot. Bonds8

About 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide

2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide (PubChem CID 55627394) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide
PubChem CID55627394
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Name2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(NC(C)=O)cc3)C(C)C2)cc1
InChIInChI=1S/C25H32N6O4/c1-17-14-30(15-24(34)28-22-8-4-20(5-9-22)26-18(2)32)12-13-31(17)16-25(35)29-23-10-6-21(7-11-23)27-19(3)33/h4-11,17H,12-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35)
InChIKeySENYVGSARDXBBA-UHFFFAOYSA-N
XLogP2.19
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
4-[[3-methyl-4-[2-oxo-2-(4-phenoxyanilino)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 69399999
N-(4-carbamothioylphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetamide
CID 63608633
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 175454236
2-[(3S)-4-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 10112786
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide (CID 55627394) is 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide is CC(=O)Nc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(NC(C)=O)cc3)C(C)C2)cc1.
What is the InChIKey of 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide?
The InChIKey is SENYVGSARDXBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-17-14-30(15-24(34)28-22-8-4-20(5-9-22)26-18(2)32)12-13-31(17)16-25(35)29-23-10-6-21(7-11-23)27-19(3)33/h4-11,17H,12-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35).
What are the key properties of 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide?
2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide has a molecular weight of 480.57 g/mol, XLogP of 2.19, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide is sourced from PubChem (CID 55627394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).