ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

C24H28N2O6 — CID 46645721

IUPACethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)OC(C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1C
InChIInChI=1S/C24H28N2O6/c1-6-31-24(30)20-11-14(2)26(15(20)3)13-22(28)32-16(4)23(29)19-7-8-21-18(12-19)9-10-25(21)17(5)27/h7-8,11-12,16H,6,9-10,13H2,1-5H3
InChIKeyQDTRWVFWXLSTAT-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.01
Rot. Bonds7

About ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 46645721) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
PubChem CID46645721
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Nameethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)OC(C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1C
InChIInChI=1S/C24H28N2O6/c1-6-31-24(30)20-11-14(2)26(15(20)3)13-22(28)32-16(4)23(29)19-7-8-21-18(12-19)9-10-25(21)17(5)27/h7-8,11-12,16H,6,9-10,13H2,1-5H3
InChIKeyQDTRWVFWXLSTAT-UHFFFAOYSA-N
XLogP3.01
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]acetate
CID 97021463
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
CID 42922144
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 46644479
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 24526395
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42896932
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 46644579
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42922170
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 46644319
[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] isoquinoline-4-carboxylate
CID 97352665
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] isoquinoline-4-carboxylate
CID 75455894
[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 27311279
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 47014314

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (CID 46645721) is ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(CC(=O)OC(C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1C.
What is the InChIKey of ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is QDTRWVFWXLSTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-6-31-24(30)20-11-14(2)26(15(20)3)13-22(28)32-16(4)23(29)19-7-8-21-18(12-19)9-10-25(21)17(5)27/h7-8,11-12,16H,6,9-10,13H2,1-5H3.
What are the key properties of ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 46645721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).