N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide

C15H20N2O — CID 43582090

IUPACN-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)CC(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-10(2)8-11(3)17-15(18)13-9-16-14-7-5-4-6-12(13)14/h4-7,9-11,16H,8H2,1-3H3,(H,17,18)
InChIKeyHUKAFTXRETVTRB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.33
Rot. Bonds4

About N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide

N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide (PubChem CID 43582090) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
PubChem CID43582090
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)CC(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-10(2)8-11(3)17-15(18)13-9-16-14-7-5-4-6-12(13)14/h4-7,9-11,16H,8H2,1-3H3,(H,17,18)
InChIKeyHUKAFTXRETVTRB-UHFFFAOYSA-N
XLogP3.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide
CID 25247182
N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
CID 169027247
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide (CID 43582090) is N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide is CC(C)CC(C)NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide?
The InChIKey is HUKAFTXRETVTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)8-11(3)17-15(18)13-9-16-14-7-5-4-6-12(13)14/h4-7,9-11,16H,8H2,1-3H3,(H,17,18).
What are the key properties of N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide?
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43582090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).