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

C21H29N3O3 — CID 135924640

IUPACN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C2CCCCC2)c2ccc(OC)cc21
InChIInChI=1S/C21H29N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h11-12,14-15,26H,3-10,13H2,1-2H3/b23-22+
InChIKeyJILGLHNBUIIRBH-GHVJWSGMSA-N
MW371.48 g/mol
LogP5.74
Rot. Bonds7

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

N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide (PubChem CID 135924640) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide
PubChem CID135924640
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C2CCCCC2)c2ccc(OC)cc21
InChIInChI=1S/C21H29N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h11-12,14-15,26H,3-10,13H2,1-2H3/b23-22+
InChIKeyJILGLHNBUIIRBH-GHVJWSGMSA-N
XLogP5.74
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.74
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

2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 135924644
N-(1-butyl-2-hydroxy-5-methylindol-3-yl)iminocyclohexanecarboxamide
CID 4501941
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
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-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
methyl N-[2-hydroxy-5-methoxy-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]iminocarbamodithioate
CID 141477245
4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide?
The IUPAC name of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide (CID 135924640) is N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide?
The canonical SMILES for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide is CCCCCn1c(O)c(/N=N/C(=O)C2CCCCC2)c2ccc(OC)cc21.
What is the InChIKey of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide?
The InChIKey is JILGLHNBUIIRBH-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h11-12,14-15,26H,3-10,13H2,1-2H3/b23-22+.
What are the key properties of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide?
N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide has a molecular weight of 371.48 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminocyclohexanecarboxamide is sourced from PubChem (CID 135924640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).