2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide

C21H21N3O4 — CID 10833571

IUPAC2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C21H21N3O4/c1-2-14-19(20(26)21(23)27)18-15(9-6-10-16(18)28-12-17(22)25)24(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,25)(H2,23,27)
InChIKeyHJPAGOZVVSAGKR-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.78
Rot. Bonds8

About 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide

2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide (PubChem CID 10833571) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide
PubChem CID10833571
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C21H21N3O4/c1-2-14-19(20(26)21(23)27)18-15(9-6-10-16(18)28-12-17(22)25)24(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,25)(H2,23,27)
InChIKeyHJPAGOZVVSAGKR-UHFFFAOYSA-N
XLogP1.78
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Varespladib
CID 155815
Varespladib Methyl
CID 9886917
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
Duometacin
CID 71912
Me-indoxam
CID 9803388
2-[2-Ethyl-3-oxamoyl-1-(phenylmethyl)benzo[g]indol-4-yl]oxyacetic acid
CID 9867345
2-[2-Methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
CID 9888132
Indoxam
CID 9911907
2-[2-Ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid
CID 10389981
4-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11517940
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
2-(2-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397559

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide (CID 10833571) is 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1.
What is the InChIKey of 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide?
The InChIKey is HJPAGOZVVSAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-2-14-19(20(26)21(23)27)18-15(9-6-10-16(18)28-12-17(22)25)24(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,25)(H2,23,27).
What are the key properties of 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide?
2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide has a molecular weight of 379.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethoxy)-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 10833571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).