dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate

C18H23N3O7 — CID 108517524

IUPACdimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C18H23N3O7/c1-26-17(24)12-3-4-13(18(25)27-2)14(11-12)20-16(23)15(22)19-5-6-21-7-9-28-10-8-21/h3-4,11H,5-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUGOGNCWTMQPUQV-UHFFFAOYSA-N
MW393.40 g/mol
LogP-0.35
Rot. Bonds6

About dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 108517524) has the molecular formula C18H23N3O7 and a molecular weight of 393.40 g/mol. Its IUPAC name is dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
PubChem CID108517524
Molecular FormulaC18H23N3O7
Molecular Weight393.40 g/mol
Exact Mass393.15
IUPAC Namedimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C18H23N3O7/c1-26-17(24)12-3-4-13(18(25)27-2)14(11-12)20-16(23)15(22)19-5-6-21-7-9-28-10-8-21/h3-4,11H,5-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUGOGNCWTMQPUQV-UHFFFAOYSA-N
XLogP-0.35
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate
CID 90211616
dimethyl 2-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 108521058
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176363
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29138842
dimethyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]benzene-1,4-dicarboxylate
CID 108518223
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 55746271
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate (CID 108517524) is dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is UGOGNCWTMQPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O7/c1-26-17(24)12-3-4-13(18(25)27-2)14(11-12)20-16(23)15(22)19-5-6-21-7-9-28-10-8-21/h3-4,11H,5-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 393.40 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 108517524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).