N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide

C13H16N2O2 — CID 102711852

IUPACN-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C13H16N2O2/c1-2-3-6-14-13(17)10-5-4-9-8-12(16)15-11(9)7-10/h4-5,7H,2-3,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyHTVKNHCZEBXINE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.71
Rot. Bonds4

About N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide

N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102711852) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102711852
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C13H16N2O2/c1-2-3-6-14-13(17)10-5-4-9-8-12(16)15-11(9)7-10/h4-5,7H,2-3,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyHTVKNHCZEBXINE-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-oxo-1,3-dihydroindole-6-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

ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
CID 102712457
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
N-(3-cyclopentylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737359
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(2-cyclohexylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712046
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737542
N-(2-cyclopentyloxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712402
N-[2-(cyclopropylmethoxy)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737388

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102711852) is N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide is CCCCNC(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is HTVKNHCZEBXINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-6-14-13(17)10-5-4-9-8-12(16)15-11(9)7-10/h4-5,7H,2-3,6,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide?
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102711852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).