2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide

C22H31N3O3 — CID 135924644

IUPAC2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)CC2CCCCC2)c2ccc(OC)cc21
InChIInChI=1S/C22H31N3O3/c1-3-4-8-13-25-19-15-17(28-2)11-12-18(19)21(22(25)27)24-23-20(26)14-16-9-6-5-7-10-16/h11-12,15-16,27H,3-10,13-14H2,1-2H3/b24-23+
InChIKeyACWHUTDXOPLWMG-WCWDXBQESA-N
MW385.51 g/mol
LogP6.13
Rot. Bonds8

About 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide

2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide (PubChem CID 135924644) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide
PubChem CID135924644
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)CC2CCCCC2)c2ccc(OC)cc21
InChIInChI=1S/C22H31N3O3/c1-3-4-8-13-25-19-15-17(28-2)11-12-18(19)21(22(25)27)24-23-20(26)14-16-9-6-5-7-10-16/h11-12,15-16,27H,3-10,13-14H2,1-2H3/b24-23+
InChIKeyACWHUTDXOPLWMG-WCWDXBQESA-N
XLogP6.13
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide
CID 135924640
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812
N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
CID 4504327
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
N-(1-butyl-2-hydroxy-5-methylindol-3-yl)iminocyclohexanecarboxamide
CID 4501941
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-(4-methoxyphenyl)acetamide
CID 2316617

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide?
The IUPAC name of 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide (CID 135924644) is 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide is CCCCCn1c(O)c(/N=N/C(=O)CC2CCCCC2)c2ccc(OC)cc21.
What is the InChIKey of 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide?
The InChIKey is ACWHUTDXOPLWMG-WCWDXBQESA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-4-8-13-25-19-15-17(28-2)11-12-18(19)21(22(25)27)24-23-20(26)14-16-9-6-5-7-10-16/h11-12,15-16,27H,3-10,13-14H2,1-2H3/b24-23+.
What are the key properties of 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide?
2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide has a molecular weight of 385.51 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide is sourced from PubChem (CID 135924644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).