2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide

C25H33N6O6+ — CID 18424658

IUPAC2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide
SMILESCC(=O)Nc1ccccc1N(O)C(=O)CN1CC[N+](C)(CC(=O)N(O)c2ccccc2NC(C)=O)CC1
InChIInChI=1S/C25H32N6O6/c1-18(32)26-20-8-4-6-10-22(20)29(36)24(34)16-28-12-14-31(3,15-13-28)17-25(35)30(37)23-11-7-5-9-21(23)27-19(2)33/h4-11,36-37H,12-17H2,1-3H3,(H-,26,27,32,33)/p+1
InChIKeyWSXFDNSBLVHFSA-UHFFFAOYSA-O
MW513.58 g/mol
LogP1.51
Rot. Bonds8

About 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide

2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide (PubChem CID 18424658) has the molecular formula C25H33N6O6+ and a molecular weight of 513.58 g/mol. Its IUPAC name is 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide
PubChem CID18424658
Molecular FormulaC25H33N6O6+
Molecular Weight513.58 g/mol
Exact Mass513.25
IUPAC Name2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide
SMILESCC(=O)Nc1ccccc1N(O)C(=O)CN1CC[N+](C)(CC(=O)N(O)c2ccccc2NC(C)=O)CC1
InChIInChI=1S/C25H32N6O6/c1-18(32)26-20-8-4-6-10-22(20)29(36)24(34)16-28-12-14-31(3,15-13-28)17-25(35)30(37)23-11-7-5-9-21(23)27-19(2)33/h4-11,36-37H,12-17H2,1-3H3,(H-,26,27,32,33)/p+1
InChIKeyWSXFDNSBLVHFSA-UHFFFAOYSA-O
XLogP1.51
TPSA142.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-acetamido-3,5-dichloro-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxyacetamide
CID 18424608
2-[4-[2-(4-amino-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(4-aminophenyl)-N-hydroxyacetamide
CID 18424586
2-[4-[2-(4-amino-3,5-dichloro-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(4-amino-3,5-dichlorophenyl)-N-hydroxyacetamide chloride
CID 18424631
N-[2-[formyl(methyl)amino]phenyl]acetamide
CID 130011413
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
N-[2-(1-hydroxybutyl)phenyl]acetamide
CID 19836950
2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61158983
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093569
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773212
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide?
The IUPAC name of 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide (CID 18424658) is 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide?
The canonical SMILES for 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide is CC(=O)Nc1ccccc1N(O)C(=O)CN1CC[N+](C)(CC(=O)N(O)c2ccccc2NC(C)=O)CC1.
What is the InChIKey of 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide?
The InChIKey is WSXFDNSBLVHFSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H32N6O6/c1-18(32)26-20-8-4-6-10-22(20)29(36)24(34)16-28-12-14-31(3,15-13-28)17-25(35)30(37)23-11-7-5-9-21(23)27-19(2)33/h4-11,36-37H,12-17H2,1-3H3,(H-,26,27,32,33)/p+1.
What are the key properties of 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide?
2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide has a molecular weight of 513.58 g/mol, XLogP of 1.51, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-acetamido-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(2-acetamidophenyl)-N-hydroxyacetamide is sourced from PubChem (CID 18424658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).