N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide

C24H27N3O3 — CID 135924638

IUPACN-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide
SMILESCOc1ccc2c(/N=N/C(=O)c3ccccc3)c(O)n(CCC3CCCCC3)c2c1
InChIInChI=1S/C24H27N3O3/c1-30-19-12-13-20-21(16-19)27(15-14-17-8-4-2-5-9-17)24(29)22(20)25-26-23(28)18-10-6-3-7-11-18/h3,6-7,10-13,16-17,29H,2,4-5,8-9,14-15H2,1H3/b26-25+
InChIKeyRMNUDNVMSQWCMA-OCEACIFDSA-N
MW405.50 g/mol
LogP6.25
Rot. Bonds6

About N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide

N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide (PubChem CID 135924638) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide.

Molecular Properties

Compound NameN-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide
PubChem CID135924638
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide
SMILESCOc1ccc2c(/N=N/C(=O)c3ccccc3)c(O)n(CCC3CCCCC3)c2c1
InChIInChI=1S/C24H27N3O3/c1-30-19-12-13-20-21(16-19)27(15-14-17-8-4-2-5-9-17)24(29)22(20)25-26-23(28)18-10-6-3-7-11-18/h3,6-7,10-13,16-17,29H,2,4-5,8-9,14-15H2,1H3/b26-25+
InChIKeyRMNUDNVMSQWCMA-OCEACIFDSA-N
XLogP6.25
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.25
H-Bond Donors ≤ 51
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 N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide?
The IUPAC name of N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide (CID 135924638) is N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide.
What is the SMILES notation for N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide?
The canonical SMILES for N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide is COc1ccc2c(/N=N/C(=O)c3ccccc3)c(O)n(CCC3CCCCC3)c2c1.
What is the InChIKey of N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide?
The InChIKey is RMNUDNVMSQWCMA-OCEACIFDSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-30-19-12-13-20-21(16-19)27(15-14-17-8-4-2-5-9-17)24(29)22(20)25-26-23(28)18-10-6-3-7-11-18/h3,6-7,10-13,16-17,29H,2,4-5,8-9,14-15H2,1H3/b26-25+.
What are the key properties of N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide?
N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide has a molecular weight of 405.50 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclohexylethyl)-2-hydroxy-6-methoxyindol-3-yl]iminobenzamide is sourced from PubChem (CID 135924638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).