N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide

C15H20N2O3 — CID 103711840

IUPACN-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-15(20,4-2)9-16-14(19)10-5-6-12-11(7-10)8-13(18)17-12/h5-7,20H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJOWRABLPOQOPMP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.46
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 103711840) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID103711840
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-15(20,4-2)9-16-14(19)10-5-6-12-11(7-10)8-13(18)17-12/h5-7,20H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJOWRABLPOQOPMP-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920254
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 103711840) is N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide is CCC(O)(CC)CNC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is JOWRABLPOQOPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-15(20,4-2)9-16-14(19)10-5-6-12-11(7-10)8-13(18)17-12/h5-7,20H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 103711840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).