N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide

C31H28N4O2 — CID 136677411

IUPACN-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/c3ccc(C(=O)N[C@@H](Cc4ccccc4)c4ccccc4)cc3)c2c1
InChIInChI=1S/C31H28N4O2/c1-20-17-21(2)28-26(18-20)29(31(37)33-28)35-34-25-15-13-24(14-16-25)30(36)32-27(23-11-7-4-8-12-23)19-22-9-5-3-6-10-22/h3-18,27,33,37H,19H2,1-2H3,(H,32,36)/b35-34+/t27-/m0/s1
InChIKeySUEWMUNUAOHCMA-AEKPCKBZSA-N
MW488.59 g/mol
LogP7.62
Rot. Bonds7

About N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide

N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide (PubChem CID 136677411) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide
PubChem CID136677411
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC NameN-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/c3ccc(C(=O)N[C@@H](Cc4ccccc4)c4ccccc4)cc3)c2c1
InChIInChI=1S/C31H28N4O2/c1-20-17-21(2)28-26(18-20)29(31(37)33-28)35-34-25-15-13-24(14-16-25)30(36)32-27(23-11-7-4-8-12-23)19-22-9-5-3-6-10-22/h3-18,27,33,37H,19H2,1-2H3,(H,32,36)/b35-34+/t27-/m0/s1
InChIKeySUEWMUNUAOHCMA-AEKPCKBZSA-N
XLogP7.62
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 57.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide (CID 136677411) is N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide is Cc1cc(C)c2[nH]c(O)c(/N=N/c3ccc(C(=O)N[C@@H](Cc4ccccc4)c4ccccc4)cc3)c2c1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide?
The InChIKey is SUEWMUNUAOHCMA-AEKPCKBZSA-N. The full InChI is InChI=1S/C31H28N4O2/c1-20-17-21(2)28-26(18-20)29(31(37)33-28)35-34-25-15-13-24(14-16-25)30(36)32-27(23-11-7-4-8-12-23)19-22-9-5-3-6-10-22/h3-18,27,33,37H,19H2,1-2H3,(H,32,36)/b35-34+/t27-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide?
N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide has a molecular weight of 488.59 g/mol, XLogP of 7.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-4-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)diazenyl]benzamide is sourced from PubChem (CID 136677411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).