N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide

C30H54IN7O16 — CID 129232104

IUPACN-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide
SMILESCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)COCN(O)C(=O)CCOCCI
InChIInChI=1S/C30H54IN7O16/c1-24(39)35(46)11-19-51-16-8-32-25(40)2-4-28(43)36(47)12-20-52-17-9-33-26(41)3-5-29(44)37(48)13-21-53-18-10-34-27(42)22-54-23-38(49)30(45)6-14-50-15-7-31/h46-49H,2-23H2,1H3,(H,32,40)(H,33,41)(H,34,42)
InChIKeyWTXHTVIXWOOTFN-UHFFFAOYSA-N
MW895.70 g/mol
LogP-2.35
Rot. Bonds33

About N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide (PubChem CID 129232104) has the molecular formula C30H54IN7O16 and a molecular weight of 895.70 g/mol. Its IUPAC name is N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide.

Molecular Properties

Compound NameN-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide
PubChem CID129232104
Molecular FormulaC30H54IN7O16
Molecular Weight895.70 g/mol
Exact Mass895.27
IUPAC NameN-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide
SMILESCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)COCN(O)C(=O)CCOCCI
InChIInChI=1S/C30H54IN7O16/c1-24(39)35(46)11-19-51-16-8-32-25(40)2-4-28(43)36(47)12-20-52-17-9-33-26(41)3-5-29(44)37(48)13-21-53-18-10-34-27(42)22-54-23-38(49)30(45)6-14-50-15-7-31/h46-49H,2-23H2,1H3,(H,32,40)(H,33,41)(H,34,42)
InChIKeyWTXHTVIXWOOTFN-UHFFFAOYSA-N
XLogP-2.35
TPSA295.61 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.70
LogP ≤ 5-2.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide with MolForge

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Related Compounds

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
N-[2-[2-[[4-[2-[2-[[4-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethylamino]-4-oxobutanoyl]-hydroxyamino]ethoxy]ethylamino]-4-oxobutanoyl]-hydroxyamino]ethoxy]ethyl]-N'-hexyl-N'-hydroxybutanediamide
CID 145324045
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(hydroxyamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 10257560
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
tert-butyl 4-[3-[5-[[10-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-3-oxopropoxy]butanoate
CID 158941725
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;gallane
CID 173092745
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentoxy)butanediamide
CID 87396043
N',N'-bis[2-[2-[2-[2-[(2-iodoacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
CID 21059341
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(propylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 101086377

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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide (CID 129232104) is N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide is CC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)COCN(O)C(=O)CCOCCI.
What is the InChIKey of N-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethyl]-N'-hydroxy-N'-[2-[2-[[4-[hydroxy-[2-[2-[[2-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide?
The InChIKey is WTXHTVIXWOOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54IN7O16/c1-24(39)35(46)11-19-51-16-8-32-25(40)2-4-28(43)36(47)12-20-52-17-9-33-26(41)3-5-29(44)37(48)13-21-53-18-10-34-27(42)22-54-23-38(49)30(45)6-14-50-15-7-31/h46-49H,2-23H2,1H3,(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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide has a molecular weight of 895.70 g/mol, XLogP of -2.35, 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-[[hydroxy-[3-(2-iodoethoxy)propanoyl]amino]methoxy]acetyl]amino]ethoxy]ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethyl]butanediamide is sourced from PubChem (CID 129232104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).