1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate

C26H29N3O6 — CID 25099984

IUPAC1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate
SMILESCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC(C)N3CCOCC3)cccc2n1Cc1ccccc1
InChIInChI=1S/C26H29N3O6/c1-17-23(25(31)26(27)32)24-20(29(17)15-19-7-4-3-5-8-19)9-6-10-21(24)34-16-22(30)35-18(2)28-11-13-33-14-12-28/h3-10,18H,11-16H2,1-2H3,(H2,27,32)
InChIKeyUYEBHBKJSQBYDD-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.27
Rot. Bonds9

About 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate

1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate (PubChem CID 25099984) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate.

Molecular Properties

Compound Name1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate
PubChem CID25099984
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate
SMILESCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC(C)N3CCOCC3)cccc2n1Cc1ccccc1
InChIInChI=1S/C26H29N3O6/c1-17-23(25(31)26(27)32)24-20(29(17)15-19-7-4-3-5-8-19)9-6-10-21(24)34-16-22(30)35-18(2)28-11-13-33-14-12-28/h3-10,18H,11-16H2,1-2H3,(H2,27,32)
InChIKeyUYEBHBKJSQBYDD-UHFFFAOYSA-N
XLogP2.27
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-methyl-3-oxamoyl-1-[(4-phenylphenyl)methyl]indol-4-yl]oxyacetate
CID 58895980
benzyl (2S)-2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoate
CID 10552313
2-[4-(2-cyclobutylidene-2-hydroxyethoxy)-2-methyl-1-[(4-phenylphenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 143459558
2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide
CID 59170411
sodium 2-[2-methyl-3-oxamoyl-1-[(3-phenylphenyl)methyl]indol-4-yl]oxyacetate
CID 23689971
dibenzyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanedioate
CID 59170305
methyl 2-[1-[(2-chlorophenyl)methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate
CID 10811760
methyl 1-benzyl-4-(2-methoxy-2-oxoethoxy)-2-methylindole-3-carboxylate
CID 58895959
ethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetate
CID 59170400
2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,2-difluoroacetamide
CID 16657120
4-[[2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetyl]sulfamoyl]butanoic acid
CID 58017198
ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate
CID 59170392

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate?
The IUPAC name of 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate (CID 25099984) is 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate.
What is the SMILES notation for 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate?
The canonical SMILES for 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate is Cc1c(C(=O)C(N)=O)c2c(OCC(=O)OC(C)N3CCOCC3)cccc2n1Cc1ccccc1.
What is the InChIKey of 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate?
The InChIKey is UYEBHBKJSQBYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-17-23(25(31)26(27)32)24-20(29(17)15-19-7-4-3-5-8-19)9-6-10-21(24)34-16-22(30)35-18(2)28-11-13-33-14-12-28/h3-10,18H,11-16H2,1-2H3,(H2,27,32).
What are the key properties of 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate?
1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate has a molecular weight of 479.53 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxyacetate is sourced from PubChem (CID 25099984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).