1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone

C17H30N4O6 — CID 102234583

IUPAC1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone
SMILESO=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCN1
InChIInChI=1S/C17H30N4O6/c22-14-6-9-17(25)21(27)13-5-3-11-19-15(23)7-8-16(24)20(26)12-4-1-2-10-18-14/h26-27H,1-13H2,(H,18,22)(H,19,23)
InChIKeyXOHMZXNFDYUBOA-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.18
Rot. Bonds

About 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone

1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone (PubChem CID 102234583) has the molecular formula C17H30N4O6 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone.

Molecular Properties

Compound Name1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone
PubChem CID102234583
Molecular FormulaC17H30N4O6
Molecular Weight386.45 g/mol
Exact Mass386.22
IUPAC Name1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone
SMILESO=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCN1
InChIInChI=1S/C17H30N4O6/c22-14-6-9-17(25)21(27)13-5-3-11-19-15(23)7-8-16(24)20(26)12-4-1-2-10-18-14/h26-27H,1-13H2,(H,18,22)(H,19,23)
InChIKeyXOHMZXNFDYUBOA-UHFFFAOYSA-N
XLogP0.18
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,12-dihydroxy-1,6,12-triazacyclodocosane-2,5,13,16-tetrone
CID 170397166
1,12-dihydroxy-1,6,12,19-tetrazacyclopentacosane-2,5,13,15,18-pentone
CID 163117483
6,17,28-trihydroxy-1,6,12,17,23-pentazacyclotritriacontane-2,5,13,16,24,27-hexone
CID 163581246
azacyclododecane-2,5-dione
CID 118524921
azepan-2-one;cyclohexane
CID 70248400
azocan-2-one
CID 12657
azacyclotetracosan-2-one
CID 102100276
azepan-2-one;2-oxopyrrolidine-1-carboxylic acid
CID 175269631
magnesium azepan-2-one
CID 18987030
azepan-2-one;pyrrolidin-2-one
CID 22023756
bis(azepan-2-one);dihydrochloride
CID 158190902
CID 70405773
CID 70405773

Frequently Asked Questions

What is the IUPAC name of 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone?
The IUPAC name of 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone (CID 102234583) is 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone.
What is the SMILES notation for 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone?
The canonical SMILES for 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone is O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCN1.
What is the InChIKey of 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone?
The InChIKey is XOHMZXNFDYUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O6/c22-14-6-9-17(25)21(27)13-5-3-11-19-15(23)7-8-16(24)20(26)12-4-1-2-10-18-14/h26-27H,1-13H2,(H,18,22)(H,19,23).
What are the key properties of 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone?
1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone has a molecular weight of 386.45 g/mol, XLogP of 0.18, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dihydroxy-1,6,11,16-tetrazacyclohenicosane-2,5,12,15-tetrone is sourced from PubChem (CID 102234583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).