N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide

C31H57N7O16 — CID 145324046

About N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide

N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide (PubChem CID 145324046) has the molecular formula C31H57N7O16 and a molecular weight of 783.83 g/mol. Its IUPAC name is N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide.

Molecular Properties

• Compound Name: N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide
• PubChem CID: 145324046
• Molecular Formula: C31H57N7O16
• Molecular Weight: 783.83 g/mol
• Exact Mass: 783.39
• IUPAC Name: N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide
• SMILES: CCCOCCN(O)C(=O)COCC(=O)NCCOCCN(O)C(=O)CCC(=O)NCCOCCN(O)C(=O)CCC(=O)NCCOCCN(O)C(C)=O
• InChI: InChI=1S/C31H57N7O16/c1-3-15-50-20-14-38(49)31(45)24-54-23-28(42)34-10-18-53-22-13-37(48)30(44)7-5-27(41)33-9-17-52-21-12-36(47)29(43)6-4-26(40)32-8-16-51-19-11-35(46)25(2)39/h46-49H,3-24H2,1-2H3,(H,32,40)(H,33,41)(H,34,42)
• InChIKey: GVVPFXXHVCKEAL-UHFFFAOYSA-N
• XLogP: -2.72
• TPSA: 295.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 33
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	783.83
LogP ≤ 5	-2.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide?

The IUPAC name of N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide (CID 145324046) is N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide.

What is the SMILES notation for N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide?

The canonical SMILES for N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide is CCCOCCN(O)C(=O)COCC(=O)NCCOCCN(O)C(=O)CCC(=O)NCCOCCN(O)C(=O)CCC(=O)NCCOCCN(O)C(C)=O.

What is the InChIKey of N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide?

The InChIKey is GVVPFXXHVCKEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57N7O16/c1-3-15-50-20-14-38(49)31(45)24-54-23-28(42)34-10-18-53-22-13-37(48)30(44)7-5-27(41)33-9-17-52-21-12-36(47)29(43)6-4-26(40)32-8-16-51-19-11-35(46)25(2)39/h46-49H,3-24H2,1-2H3,(H,32,40)(H,33,41)(H,34,42).

What are the key properties of N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide?

N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide has a molecular weight of 783.83 g/mol, XLogP of -2.72, 33 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[2-[hydroxy(2-propoxyethyl)amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide is sourced from PubChem (CID 145324046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).