N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide

C24H22N8O8 — CID 135544236

IUPACN,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
SMILESO=C(CCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C24H22N8O8/c33-19(27-29-21-15-11-13(31(37)38)7-9-17(15)25-23(21)35)5-3-1-2-4-6-20(34)28-30-22-16-12-14(32(39)40)8-10-18(16)26-24(22)36/h7-12,25-26,35-36H,1-6H2/b29-27+,30-28+
InChIKeyGVBJWZWXSAAXCM-QAVVBOBSSA-N
MW550.49 g/mol
LogP6.14
Rot. Bonds11

About N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide

N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide (PubChem CID 135544236) has the molecular formula C24H22N8O8 and a molecular weight of 550.49 g/mol. Its IUPAC name is N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
PubChem CID135544236
Molecular FormulaC24H22N8O8
Molecular Weight550.49 g/mol
Exact Mass550.16
IUPAC NameN,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
SMILESO=C(CCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C24H22N8O8/c33-19(27-29-21-15-11-13(31(37)38)7-9-17(15)25-23(21)35)5-3-1-2-4-6-20(34)28-30-22-16-12-14(32(39)40)8-10-18(16)26-24(22)36/h7-12,25-26,35-36H,1-6H2/b29-27+,30-28+
InChIKeyGVBJWZWXSAAXCM-QAVVBOBSSA-N
XLogP6.14
TPSA241.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.49
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide 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

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3838454
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
CID 135592265

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide?
The IUPAC name of N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide (CID 135544236) is N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide.
What is the SMILES notation for N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide?
The canonical SMILES for N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide is O=C(CCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide?
The InChIKey is GVBJWZWXSAAXCM-QAVVBOBSSA-N. The full InChI is InChI=1S/C24H22N8O8/c33-19(27-29-21-15-11-13(31(37)38)7-9-17(15)25-23(21)35)5-3-1-2-4-6-20(34)28-30-22-16-12-14(32(39)40)8-10-18(16)26-24(22)36/h7-12,25-26,35-36H,1-6H2/b29-27+,30-28+.
What are the key properties of N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide?
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide has a molecular weight of 550.49 g/mol, XLogP of 6.14, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide is sourced from PubChem (CID 135544236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).