ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate

C15H20N2O6 — CID 108501826

IUPACethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)NCCOCCO
InChIInChI=1S/C15H20N2O6/c1-2-23-15(21)11-5-3-4-6-12(11)17-14(20)13(19)16-7-9-22-10-8-18/h3-6,18H,2,7-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyVCDVNIIRTJFHFD-UHFFFAOYSA-N
MW324.33 g/mol
LogP-0.07
Rot. Bonds8

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

ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate (PubChem CID 108501826) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
PubChem CID108501826
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Nameethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)NCCOCCO
InChIInChI=1S/C15H20N2O6/c1-2-23-15(21)11-5-3-4-6-12(11)17-14(20)13(19)16-7-9-22-10-8-18/h3-6,18H,2,7-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyVCDVNIIRTJFHFD-UHFFFAOYSA-N
XLogP-0.07
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-0.07
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'-(2-carbamoylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524308
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524350
methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108501782
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
ethyl 2-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108501953
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108987542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate (CID 108501826) is ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(=O)NCCOCCO.
What is the InChIKey of ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
The InChIKey is VCDVNIIRTJFHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-2-23-15(21)11-5-3-4-6-12(11)17-14(20)13(19)16-7-9-22-10-8-18/h3-6,18H,2,7-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate?
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate has a molecular weight of 324.33 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108501826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).