2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide

C22H22N2O4 — CID 20592741

IUPAC2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C22H22N2O4/c1-3-16-20(21(26)22(23)27)19-17(10-7-11-18(19)28-13-14(2)25)24(16)12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H2,23,27)
InChIKeyPBWFHOSBJAXOSZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.89
Rot. Bonds8

About 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide

2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide (PubChem CID 20592741) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide
PubChem CID20592741
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C22H22N2O4/c1-3-16-20(21(26)22(23)27)19-17(10-7-11-18(19)28-13-14(2)25)24(16)12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H2,23,27)
InChIKeyPBWFHOSBJAXOSZ-UHFFFAOYSA-N
XLogP2.89
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]-3-methylpentanoate
CID 18008135
dimethyl (2S)-2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]butanedioate
CID 59101573
2-(1-benzyl-2-ethyl-4-hydroxyindol-3-yl)-2-oxoacetamide;methyl acetate
CID 174596485
methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate
CID 10835989
methyl 2-[1-benzyl-3-(C-carbamoyl-N-methylcarbonimidoyl)-2-ethylindol-4-yl]oxyacetate
CID 20637280
2-[1-benzyl-3-(C-carbamoyl-N-hydroxycarbonimidoyl)-2-ethylindol-4-yl]oxyacetic acid;2-[1-benzyl-3-[(Z)-C-carbamoyl-N-methoxycarbonimidoyl]-2-ethylindol-4-yl]oxyacetic acid
CID 172923558
methyl 2-[1-[dideuterio(phenyl)methyl]-3-oxamoyl-2-(2,2,2-trideuterioethyl)indol-4-yl]oxyacetate
CID 56925221
3-[acetyl-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)amino]propanoic acid
CID 10788995
2-morpholin-4-ylethyl 2-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-oxamoylindol-4-yl]oxyacetate
CID 91259942
2-[1-benzyl-2-ethyl-4-(2-nitroso-2-oxoethoxy)pyrrolo[3,2-c]pyridin-3-yl]-2-oxoacetamide
CID 89359022
2-[1-benzyl-4-[2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-2-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
CID 24951033
dimethyl 2-[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyhexadecylamino]propanedioate
CID 70133306

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide (CID 20592741) is 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccc2n1Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide?
The InChIKey is PBWFHOSBJAXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-3-16-20(21(26)22(23)27)19-17(10-7-11-18(19)28-13-14(2)25)24(16)12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H2,23,27).
What are the key properties of 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide?
2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide has a molecular weight of 378.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 20592741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).