methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate

C24H26N2O5 — CID 10835989

IUPACmethyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate
SMILESCCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(=O)OC)cccc2n1Cc1ccccc1
InChIInChI=1S/C24H26N2O5/c1-5-16-20(21(27)22(25)28)19-17(26(16)14-15-10-7-6-8-11-15)12-9-13-18(19)31-24(2,3)23(29)30-4/h6-13H,5,14H2,1-4H3,(H2,25,28)
InChIKeyUYYXKQJELOWVBK-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.25
Rot. Bonds8

About methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate

methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate (PubChem CID 10835989) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate
PubChem CID10835989
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namemethyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate
SMILESCCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(=O)OC)cccc2n1Cc1ccccc1
InChIInChI=1S/C24H26N2O5/c1-5-16-20(21(27)22(25)28)19-17(26(16)14-15-10-7-6-8-11-15)12-9-13-18(19)31-24(2,3)23(29)30-4/h6-13H,5,14H2,1-4H3,(H2,25,28)
InChIKeyUYYXKQJELOWVBK-UHFFFAOYSA-N
XLogP3.25
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-benzyl-2-ethyl-4-(2-oxopropoxy)indol-3-yl]-2-oxoacetamide
CID 20592741
2-(1-benzyl-2-ethyl-4-hydroxyindol-3-yl)-2-oxoacetamide;methyl acetate
CID 174596485
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
dimethyl 2-[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyhexadecylamino]propanedioate
CID 70133306
2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,2-difluoroacetamide
CID 16657120
methyl 2-[1-benzyl-3-(C-carbamoyl-N-methylcarbonimidoyl)-2-ethylindol-4-yl]oxyacetate
CID 20637280
3-[acetyl-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)amino]propanoic acid
CID 10788995
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
2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide
CID 59170411
N-(benzenesulfonyl)-2-[1-benzyl-2-(2-methylpropyl)-3-oxamoylindol-4-yl]oxypropanamide
CID 24950868

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate?
The IUPAC name of methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate (CID 10835989) is methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate?
The canonical SMILES for methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate is CCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(=O)OC)cccc2n1Cc1ccccc1.
What is the InChIKey of methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate?
The InChIKey is UYYXKQJELOWVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-5-16-20(21(27)22(25)28)19-17(26(16)14-15-10-7-6-8-11-15)12-9-13-18(19)31-24(2,3)23(29)30-4/h6-13H,5,14H2,1-4H3,(H2,25,28).
What are the key properties of methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate?
methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate has a molecular weight of 422.48 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoate is sourced from PubChem (CID 10835989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).