methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate

C14H18N2O6 — CID 108524295

IUPACmethyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1
InChIInChI=1S/C14H18N2O6/c1-21-14(20)10-2-4-11(5-3-10)16-13(19)12(18)15-6-8-22-9-7-17/h2-5,17H,6-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyXTSUTSWHKMOBNP-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.46
Rot. Bonds7

About methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate

methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate (PubChem CID 108524295) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
PubChem CID108524295
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Namemethyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1
InChIInChI=1S/C14H18N2O6/c1-21-14(20)10-2-4-11(5-3-10)16-13(19)12(18)15-6-8-22-9-7-17/h2-5,17H,6-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyXTSUTSWHKMOBNP-UHFFFAOYSA-N
XLogP-0.46
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108514776
N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524269
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 7585241
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-[[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108528193
methyl 4-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17218528
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582432
methyl 4-[[2-(2-hydroxyethylamino)acetyl]amino]benzoate
CID 82358503
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108501826
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate (CID 108524295) is methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1.
What is the InChIKey of methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
The InChIKey is XTSUTSWHKMOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-21-14(20)10-2-4-11(5-3-10)16-13(19)12(18)15-6-8-22-9-7-17/h2-5,17H,6-9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate has a molecular weight of 310.31 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108524295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).