N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane

C20H28N2O4 — CID 178015107

IUPACN,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane
SMILESCC.CN(C)C(=O)C(=O)c1c[nH]c2cccc(OCC3CCOCC3)c12
InChIInChI=1S/C18H22N2O4.C2H6/c1-20(2)18(22)17(21)13-10-19-14-4-3-5-15(16(13)14)24-11-12-6-8-23-9-7-12;1-2/h3-5,10,12,19H,6-9,11H2,1-2H3;1-2H3
InChIKeyFPHBVPBLCRJPGY-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.27
Rot. Bonds5

About N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane

N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane (PubChem CID 178015107) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane
PubChem CID178015107
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane
SMILESCC.CN(C)C(=O)C(=O)c1c[nH]c2cccc(OCC3CCOCC3)c12
InChIInChI=1S/C18H22N2O4.C2H6/c1-20(2)18(22)17(21)13-10-19-14-4-3-5-15(16(13)14)24-11-12-6-8-23-9-7-12;1-2/h3-5,10,12,19H,6-9,11H2,1-2H3;1-2H3
InChIKeyFPHBVPBLCRJPGY-UHFFFAOYSA-N
XLogP3.27
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
methyl 2-amino-3-(oxan-4-ylmethoxy)benzoate
CID 113333341
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
CID 83164226
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
(4-ethoxy-1H-indol-3-yl)-(furan-3-yl)methanone
CID 83163327
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone
CID 83918329
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane?
The IUPAC name of N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane (CID 178015107) is N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane.
What is the SMILES notation for N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane?
The canonical SMILES for N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane is CC.CN(C)C(=O)C(=O)c1c[nH]c2cccc(OCC3CCOCC3)c12.
What is the InChIKey of N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane?
The InChIKey is FPHBVPBLCRJPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.C2H6/c1-20(2)18(22)17(21)13-10-19-14-4-3-5-15(16(13)14)24-11-12-6-8-23-9-7-12;1-2/h3-5,10,12,19H,6-9,11H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane?
N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane has a molecular weight of 360.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane is sourced from PubChem (CID 178015107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).