N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide

C14H18N2O2 — CID 66109223

IUPACN-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
SMILESCC(CCO)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(6-7-17)8-16-14(18)12-9-15-13-5-3-2-4-11(12)13/h2-5,9-10,15,17H,6-8H2,1H3,(H,16,18)
InChIKeyFKINZJKMYPUWTD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide

N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide (PubChem CID 66109223) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
PubChem CID66109223
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
SMILESCC(CCO)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(6-7-17)8-16-14(18)12-9-15-13-5-3-2-4-11(12)13/h2-5,9-10,15,17H,6-8H2,1H3,(H,16,18)
InChIKeyFKINZJKMYPUWTD-UHFFFAOYSA-N
XLogP1.92
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
CID 66109220
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
CID 115729499
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide (CID 66109223) is N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide is CC(CCO)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide?
The InChIKey is FKINZJKMYPUWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(6-7-17)8-16-14(18)12-9-15-13-5-3-2-4-11(12)13/h2-5,9-10,15,17H,6-8H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide?
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 66109223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).