2-hydroxy-3-pentylindole-1-carboxamide

C14H18N2O2 — CID 67810803

IUPAC2-hydroxy-3-pentylindole-1-carboxamide
SMILESCCCCCc1c(O)n(C(N)=O)c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)16(13(11)17)14(15)18/h5-7,9,17H,2-4,8H2,1H3,(H2,15,18)
InChIKeyJRQXQMVKGBJCER-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.01
Rot. Bonds4

About 2-hydroxy-3-pentylindole-1-carboxamide

2-hydroxy-3-pentylindole-1-carboxamide (PubChem CID 67810803) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-hydroxy-3-pentylindole-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-3-pentylindole-1-carboxamide
PubChem CID67810803
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-hydroxy-3-pentylindole-1-carboxamide
SMILESCCCCCc1c(O)n(C(N)=O)c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)16(13(11)17)14(15)18/h5-7,9,17H,2-4,8H2,1H3,(H2,15,18)
InChIKeyJRQXQMVKGBJCER-UHFFFAOYSA-N
XLogP3.01
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 121348479
4-heptyl-2,3-dihydroxyisoquinolin-1-one
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CID 54687613
3-dodecylnaphthalene-1,2,4-triol
CID 14672775
1-methyl-3-pentyl-2-phenylindole
CID 102287854
4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 54693055
2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
CID 140967202
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
iron;1-octylnaphthalene-2-carboxylic acid
CID 159193184
ethyl 2-methyl-4-pentylquinoline-3-carboxylate
CID 45141729
10-octylanthracen-9-amine
CID 87887624
carbazole-1,9-dicarboxamide
CID 141418559

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-pentylindole-1-carboxamide?
The IUPAC name of 2-hydroxy-3-pentylindole-1-carboxamide (CID 67810803) is 2-hydroxy-3-pentylindole-1-carboxamide.
What is the SMILES notation for 2-hydroxy-3-pentylindole-1-carboxamide?
The canonical SMILES for 2-hydroxy-3-pentylindole-1-carboxamide is CCCCCc1c(O)n(C(N)=O)c2ccccc12.
What is the InChIKey of 2-hydroxy-3-pentylindole-1-carboxamide?
The InChIKey is JRQXQMVKGBJCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-4-8-11-10-7-5-6-9-12(10)16(13(11)17)14(15)18/h5-7,9,17H,2-4,8H2,1H3,(H2,15,18).
What are the key properties of 2-hydroxy-3-pentylindole-1-carboxamide?
2-hydroxy-3-pentylindole-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-pentylindole-1-carboxamide is sourced from PubChem (CID 67810803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).