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

C18H25N3O5 — CID 113176051

IUPACmethyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)NCCN1CCOCC1)C(C)=O
InChIInChI=1S/C18H25N3O5/c1-14(22)21(16-6-4-3-5-15(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)
InChIKeyOIQMLCLBKLUVSJ-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.27
Rot. Bonds7

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

methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate (PubChem CID 113176051) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
PubChem CID113176051
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namemethyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)NCCN1CCOCC1)C(C)=O
InChIInChI=1S/C18H25N3O5/c1-14(22)21(16-6-4-3-5-15(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)
InChIKeyOIQMLCLBKLUVSJ-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

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

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Related Compounds

methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176363
2-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113181389
methyl 2-[acetyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]benzoate
CID 113176098
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113128713
methyl 2-[acetyl-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176077
methyl 2-[acetyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176078
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113178152
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113164494
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
methyl 2-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
CID 113176088
methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 113176111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate (CID 113176051) is methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1N(CC(=O)NCCN1CCOCC1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is OIQMLCLBKLUVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-14(22)21(16-6-4-3-5-15(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 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate?
methyl 2-[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 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).