N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide

C25H30N4O3 — CID 4501227

IUPACN-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)CCCCCNC(=O)c1ccccc1)c(O)n2C(C)C
InChIInChI=1S/C25H30N4O3/c1-17(2)29-21-14-13-18(3)16-20(21)23(25(29)32)28-27-22(30)12-8-5-9-15-26-24(31)19-10-6-4-7-11-19/h4,6-7,10-11,13-14,16-17,32H,5,8-9,12,15H2,1-3H3,(H,26,31)/b28-27+
InChIKeyGJOBADIXPPLGTH-BYYHNAKLSA-N
MW434.54 g/mol
LogP5.84
Rot. Bonds9

About N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide

N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide (PubChem CID 4501227) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
PubChem CID4501227
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)CCCCCNC(=O)c1ccccc1)c(O)n2C(C)C
InChIInChI=1S/C25H30N4O3/c1-17(2)29-21-14-13-18(3)16-20(21)23(25(29)32)28-27-22(30)12-8-5-9-15-26-24(31)19-10-6-4-7-11-19/h4,6-7,10-11,13-14,16-17,32H,5,8-9,12,15H2,1-3H3,(H,26,31)/b28-27+
InChIKeyGJOBADIXPPLGTH-BYYHNAKLSA-N
XLogP5.84
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide (CID 4501227) is N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide is Cc1ccc2c(c1)c(/N=N/C(=O)CCCCCNC(=O)c1ccccc1)c(O)n2C(C)C.
What is the InChIKey of N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide?
The InChIKey is GJOBADIXPPLGTH-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)29-21-14-13-18(3)16-20(21)23(25(29)32)28-27-22(30)12-8-5-9-15-26-24(31)19-10-6-4-7-11-19/h4,6-7,10-11,13-14,16-17,32H,5,8-9,12,15H2,1-3H3,(H,26,31)/b28-27+.
What are the key properties of N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide?
N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 4501227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).