N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide

C23H31N3O3 — CID 135924647

IUPACN-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide
SMILESCOc1ccc2c(/N=N/C(=O)C3CCCCC3)c(O)n(CC3CCCCC3)c2c1
InChIInChI=1S/C23H31N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h12-14,16-17,28H,2-11,15H2,1H3/b25-24+
InChIKeyPCCZKGMYKKFRLY-OCOZRVBESA-N
MW397.52 g/mol
LogP6.13
Rot. Bonds5

About N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide

N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide (PubChem CID 135924647) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide
PubChem CID135924647
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide
SMILESCOc1ccc2c(/N=N/C(=O)C3CCCCC3)c(O)n(CC3CCCCC3)c2c1
InChIInChI=1S/C23H31N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h12-14,16-17,28H,2-11,15H2,1H3/b25-24+
InChIKeyPCCZKGMYKKFRLY-OCOZRVBESA-N
XLogP6.13
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.13
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-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide (CID 135924647) is N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide is COc1ccc2c(/N=N/C(=O)C3CCCCC3)c(O)n(CC3CCCCC3)c2c1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide?
The InChIKey is PCCZKGMYKKFRLY-OCOZRVBESA-N. The full InChI is InChI=1S/C23H31N3O3/c1-29-18-12-13-19-20(14-18)26(15-16-8-4-2-5-9-16)23(28)21(19)24-25-22(27)17-10-6-3-7-11-17/h12-14,16-17,28H,2-11,15H2,1H3/b25-24+.
What are the key properties of N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide?
N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide has a molecular weight of 397.52 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-2-hydroxy-6-methoxyindol-3-yl]iminocyclohexanecarboxamide is sourced from PubChem (CID 135924647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).