[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C26H28N2O7 — CID 2998533

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C26H28N2O7/c1-3-33-23-14-18(8-9-22(23)34-16-24(30)28-10-12-32-13-11-28)26(31)35-15-21(29)25-17(2)27-20-7-5-4-6-19(20)25/h4-9,14,27H,3,10-13,15-16H2,1-2H3
InChIKeyLITGADUNBPSQBJ-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.15
Rot. Bonds9

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 2998533) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID2998533
Molecular FormulaC26H28N2O7
Molecular Weight480.52 g/mol
Exact Mass480.19
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C26H28N2O7/c1-3-33-23-14-18(8-9-22(23)34-16-24(30)28-10-12-32-13-11-28)26(31)35-15-21(29)25-17(2)27-20-7-5-4-6-19(20)25/h4-9,14,27H,3,10-13,15-16H2,1-2H3
InChIKeyLITGADUNBPSQBJ-UHFFFAOYSA-N
XLogP3.15
TPSA107.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(4-methoxyphenyl)carbonyl]-1-methyl-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate
CID 11292616
Isopropyl 8-fluoro-1,1-dimethyl-3-(4-(3-morpholin-4-ylpropoxy)benzoyl)-1,2,3,6-tetrahydroazepino(4,5-b)indole-5-carboxylate
CID 44631854
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-furoate
CID 1223278
1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 3-(1H-indol-3-yl)-propyl ester
CID 44365271
Ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
2-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-2-oxoethyl 1H-indole-3-acetate
CID 7960323
N-[5-(3,4-dimethoxyphenyl)-2-methyl-3-furoyl]-3-(1H-indol-2-yl)alanine
CID 4919308
(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-(5-phenyl-furan-2-yl)-methanone
CID 10161792
2-[1-[3-methoxy-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid
CID 10300616
(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11279701
Isopropyl 1,1-Dimethyl-3-[3-(3-morpholin-4-ylpropoxy)benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 45103516
Isopropyl 8-Fluoro-1,1-dimethyl-3-[4-(2-morpholin-4-ylethoxy)-benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 45103619

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 2998533) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is CCOc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is LITGADUNBPSQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O7/c1-3-33-23-14-18(8-9-22(23)34-16-24(30)28-10-12-32-13-11-28)26(31)35-15-21(29)25-17(2)27-20-7-5-4-6-19(20)25/h4-9,14,27H,3,10-13,15-16H2,1-2H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 480.52 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 2998533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).