5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide

C19H25N5O8 — CID 59290096

About 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide

5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide (PubChem CID 59290096) has the molecular formula C19H25N5O8 and a molecular weight of 451.44 g/mol. Its IUPAC name is 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide
• PubChem CID: 59290096
• Molecular Formula: C19H25N5O8
• Molecular Weight: 451.44 g/mol
• Exact Mass: 451.17
• IUPAC Name: 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide
• SMILES: CNC(=O)CCNC(=O)c1cc(C(=O)CCC(=O)NO)cc(C(=O)NCCC(=O)NO)c1
• InChI: InChI=1S/C19H25N5O8/c1-20-15(26)4-6-21-18(29)12-8-11(14(25)2-3-16(27)23-31)9-13(10-12)19(30)22-7-5-17(28)24-32/h8-10,31-32H,2-7H2,1H3,(H,20,26)(H,21,29)(H,22,30)(H,23,27)(H,24,28)
• InChIKey: QJODFPKURUIHPW-UHFFFAOYSA-N
• XLogP: -1.35
• TPSA: 203.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.44
LogP ≤ 5	-1.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide?

The IUPAC name of 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide (CID 59290096) is 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide is CNC(=O)CCNC(=O)c1cc(C(=O)CCC(=O)NO)cc(C(=O)NCCC(=O)NO)c1.

What is the InChIKey of 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide?

The InChIKey is QJODFPKURUIHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O8/c1-20-15(26)4-6-21-18(29)12-8-11(14(25)2-3-16(27)23-31)9-13(10-12)19(30)22-7-5-17(28)24-32/h8-10,31-32H,2-7H2,1H3,(H,20,26)(H,21,29)(H,22,30)(H,23,27)(H,24,28).

What are the key properties of 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide?

5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide has a molecular weight of 451.44 g/mol, XLogP of -1.35, 12 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(hydroxyamino)-4-oxobutanoyl]-3-N-[3-(hydroxyamino)-3-oxopropyl]-1-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 59290096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).