2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide

C18H17N5O3 — CID 1098407

IUPAC2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C18H17N5O3/c1-11-6-8-12(9-7-11)20-15(24)10-23-14-5-3-2-4-13(14)16(17(23)25)21-22-18(19)26/h2-9,25H,10H2,1H3,(H2,19,26)(H,20,24)/b22-21+
InChIKeyJBPJRXPCXUFJAX-QURGRASLSA-N
MW351.37 g/mol
LogP3.46
Rot. Bonds4

About 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide

2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 1098407) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID1098407
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C18H17N5O3/c1-11-6-8-12(9-7-11)20-15(24)10-23-14-5-3-2-4-13(14)16(17(23)25)21-22-18(19)26/h2-9,25H,10H2,1H3,(H2,19,26)(H,20,24)/b22-21+
InChIKeyJBPJRXPCXUFJAX-QURGRASLSA-N
XLogP3.46
TPSA122.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide (CID 1098407) is 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(N)=O)c3ccccc32)cc1.
What is the InChIKey of 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is JBPJRXPCXUFJAX-QURGRASLSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-6-8-12(9-7-11)20-15(24)10-23-14-5-3-2-4-13(14)16(17(23)25)21-22-18(19)26/h2-9,25H,10H2,1H3,(H2,19,26)(H,20,24)/b22-21+.
What are the key properties of 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 351.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carbamoyldiazenyl)-2-hydroxyindol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1098407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).