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

C14H18N2O2 — CID 113268799

IUPACN-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-9(2)13(17)8-16-14(18)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,13,15,17H,8H2,1-2H3,(H,16,18)
InChIKeyCZWAPNHYGXKDLB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.91
Rot. Bonds4

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

N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide (PubChem CID 113268799) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
PubChem CID113268799
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-9(2)13(17)8-16-14(18)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,13,15,17H,8H2,1-2H3,(H,16,18)
InChIKeyCZWAPNHYGXKDLB-UHFFFAOYSA-N
XLogP1.91
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
CID 115729499
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide (CID 113268799) is N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide is CC(C)C(O)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide?
The InChIKey is CZWAPNHYGXKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)13(17)8-16-14(18)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,13,15,17H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide?
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113268799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).