N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide

C26H28N6O4 — CID 4500205

IUPACN,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)CCCCC(=O)/N=N/c1c(O)n(C)c3ccc(C)cc13)c(O)n2C
InChIInChI=1S/C26H28N6O4/c1-15-9-11-19-17(13-15)23(25(35)31(19)3)29-27-21(33)7-5-6-8-22(34)28-30-24-18-14-16(2)10-12-20(18)32(4)26(24)36/h9-14,35-36H,5-8H2,1-4H3/b29-27+,30-28+
InChIKeyPANRGYTZBDEYCE-QAVVBOBSSA-N
MW488.55 g/mol
LogP6.18
Rot. Bonds7

About N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide

N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide (PubChem CID 4500205) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide
PubChem CID4500205
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC NameN,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)CCCCC(=O)/N=N/c1c(O)n(C)c3ccc(C)cc13)c(O)n2C
InChIInChI=1S/C26H28N6O4/c1-15-9-11-19-17(13-15)23(25(35)31(19)3)29-27-21(33)7-5-6-8-22(34)28-30-24-18-14-16(2)10-12-20(18)32(4)26(24)36/h9-14,35-36H,5-8H2,1-4H3/b29-27+,30-28+
InChIKeyPANRGYTZBDEYCE-QAVVBOBSSA-N
XLogP6.18
TPSA133.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide?
The IUPAC name of N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide (CID 4500205) is N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide.
What is the SMILES notation for N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide?
The canonical SMILES for N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide is Cc1ccc2c(c1)c(/N=N/C(=O)CCCCC(=O)/N=N/c1c(O)n(C)c3ccc(C)cc13)c(O)n2C.
What is the InChIKey of N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide?
The InChIKey is PANRGYTZBDEYCE-QAVVBOBSSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-15-9-11-19-17(13-15)23(25(35)31(19)3)29-27-21(33)7-5-6-8-22(34)28-30-24-18-14-16(2)10-12-20(18)32(4)26(24)36/h9-14,35-36H,5-8H2,1-4H3/b29-27+,30-28+.
What are the key properties of N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide?
N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide has a molecular weight of 488.55 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide is sourced from PubChem (CID 4500205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).