ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate

C27H34N4O6 — CID 143048932

IUPACethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CN(CCN3CCOCC3)C(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C27H34N4O6/c1-3-37-27(34)20-4-8-22(9-5-20)31-19-30(13-12-29-14-16-36-17-15-29)24(26(31)33)18-25(32)28-21-6-10-23(35-2)11-7-21/h4-11,24H,3,12-19H2,1-2H3,(H,28,32)
InChIKeyIQWBUULKVXLRHA-UHFFFAOYSA-N
MW510.59 g/mol
LogP2.21
Rot. Bonds10

About ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate

ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate (PubChem CID 143048932) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate
PubChem CID143048932
Molecular FormulaC27H34N4O6
Molecular Weight510.59 g/mol
Exact Mass510.25
IUPAC Nameethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CN(CCN3CCOCC3)C(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C27H34N4O6/c1-3-37-27(34)20-4-8-22(9-5-20)31-19-30(13-12-29-14-16-36-17-15-29)24(26(31)33)18-25(32)28-21-6-10-23(35-2)11-7-21/h4-11,24H,3,12-19H2,1-2H3,(H,28,32)
InChIKeyIQWBUULKVXLRHA-UHFFFAOYSA-N
XLogP2.21
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 46504293
ethyl 4-[[2-[(4R)-3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698490
N-(4-methoxyphenyl)-2-[(4R)-1-methyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 7291768
ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 4305320
ethyl 4-[[2-[(4R)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698500
ethyl 4-[(4S)-3-(2-acetamidoethyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 92654215
ethyl 4-[[2-[(4R)-1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 98185216
ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
CID 40566787
ethyl 4-[[2-[(4S)-3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 99663137
ethyl 4-[(4R)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-[2-(2,3,4,5,6-pentachloroanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 99654985
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
methyl 4-[[2-[(4S)-1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 28592935

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate (CID 143048932) is ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate is CCOC(=O)c1ccc(N2CN(CCN3CCOCC3)C(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate?
The InChIKey is IQWBUULKVXLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-3-37-27(34)20-4-8-22(9-5-20)31-19-30(13-12-29-14-16-36-17-15-29)24(26(31)33)18-25(32)28-21-6-10-23(35-2)11-7-21/h4-11,24H,3,12-19H2,1-2H3,(H,28,32).
What are the key properties of ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate?
ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate has a molecular weight of 510.59 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate is sourced from PubChem (CID 143048932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).