N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide

C21H29N3O2 — CID 135881494

IUPACN-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C21H29N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h8-9,13-14,16,26H,2-7,10-12,15H2,1H3/b23-22+
InChIKeyKBSXUQPQMBBYBP-GHVJWSGMSA-N
MW355.48 g/mol
LogP6.12
Rot. Bonds7

About N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide

N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide (PubChem CID 135881494) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide
PubChem CID135881494
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C21H29N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h8-9,13-14,16,26H,2-7,10-12,15H2,1H3/b23-22+
InChIKeyKBSXUQPQMBBYBP-GHVJWSGMSA-N
XLogP6.12
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide?
The IUPAC name of N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide (CID 135881494) is N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide.
What is the SMILES notation for N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide?
The canonical SMILES for N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide is CCCCCCn1c(O)c(/N=N/C(=O)C2CCCCC2)c2ccccc21.
What is the InChIKey of N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide?
The InChIKey is KBSXUQPQMBBYBP-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h8-9,13-14,16,26H,2-7,10-12,15H2,1H3/b23-22+.
What are the key properties of N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide?
N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide has a molecular weight of 355.48 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-2-hydroxyindol-3-yl)iminocyclohexanecarboxamide is sourced from PubChem (CID 135881494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).