methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate

C18H25N3O5 — CID 113176363

IUPACmethyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)NCCN2CCOCC2)C(C)=O)cc1
InChIInChI=1S/C18H25N3O5/c1-14(22)21(16-5-3-15(4-6-16)18(24)25-2)13-17(23)19-7-8-20-9-11-26-12-10-20/h3-6H,7-13H2,1-2H3,(H,19,23)
InChIKeyBOGZDMHBHHGROZ-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.27
Rot. Bonds7

About methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate

methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate (PubChem CID 113176363) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
PubChem CID113176363
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namemethyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)NCCN2CCOCC2)C(C)=O)cc1
InChIInChI=1S/C18H25N3O5/c1-14(22)21(16-5-3-15(4-6-16)18(24)25-2)13-17(23)19-7-8-20-9-11-26-12-10-20/h3-6H,7-13H2,1-2H3,(H,19,23)
InChIKeyBOGZDMHBHHGROZ-UHFFFAOYSA-N
XLogP0.27
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176051
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113178152
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
2-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113181389
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
methyl 4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 113176365
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 4-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]benzoate
CID 111040659
dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108517524
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113128713
methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851333
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate (CID 113176363) is methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(N(CC(=O)NCCN2CCOCC2)C(C)=O)cc1.
What is the InChIKey of methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is BOGZDMHBHHGROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-14(22)21(16-5-3-15(4-6-16)18(24)25-2)13-17(23)19-7-8-20-9-11-26-12-10-20/h3-6H,7-13H2,1-2H3,(H,19,23).
What are the key properties of methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 363.41 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).