N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide

C14H16N2O2 — CID 59531603

IUPACN-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-9(2)13(17)8-16-14(18)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,15H,8H2,1-2H3,(H,16,18)
InChIKeyDVERIDBQZYSBBE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.12
Rot. Bonds4

About N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide

N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide (PubChem CID 59531603) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
PubChem CID59531603
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-9(2)13(17)8-16-14(18)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,15H,8H2,1-2H3,(H,16,18)
InChIKeyDVERIDBQZYSBBE-UHFFFAOYSA-N
XLogP2.12
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-methyl-2-oxobutyl)-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

methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
CID 115729499
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide (CID 59531603) is N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide is CC(C)C(=O)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide?
The InChIKey is DVERIDBQZYSBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)13(17)8-16-14(18)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,15H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide?
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 59531603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).