N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C17H24N2O3 — CID 48893825

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCCC(O)(CC)CNC(=O)C(=O)N1CCc2ccc(C)cc21
InChIInChI=1S/C17H24N2O3/c1-4-17(22,5-2)11-18-15(20)16(21)19-9-8-13-7-6-12(3)10-14(13)19/h6-7,10,22H,4-5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyYLRYZGBNFAPYKJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.55
Rot. Bonds4

About N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 48893825) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID48893825
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCCC(O)(CC)CNC(=O)C(=O)N1CCc2ccc(C)cc21
InChIInChI=1S/C17H24N2O3/c1-4-17(22,5-2)11-18-15(20)16(21)19-9-8-13-7-6-12(3)10-14(13)19/h6-7,10,22H,4-5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyYLRYZGBNFAPYKJ-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 109389448
N-(1-hydroxypropan-2-yl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 110910414
N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111490965
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 86873025
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111435729
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505760
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 48893825) is N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CCC(O)(CC)CNC(=O)C(=O)N1CCc2ccc(C)cc21.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is YLRYZGBNFAPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-17(22,5-2)11-18-15(20)16(21)19-9-8-13-7-6-12(3)10-14(13)19/h6-7,10,22H,4-5,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 48893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).