ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate

C17H24N2O4 — CID 108500129

IUPACethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C17H24N2O4/c1-4-11-19(12-5-2)16(21)15(20)18-14-9-7-13(8-10-14)17(22)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyFCNHRNPOGPKXQC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.45
Rot. Bonds7

About ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate

ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate (PubChem CID 108500129) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
PubChem CID108500129
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C17H24N2O4/c1-4-11-19(12-5-2)16(21)15(20)18-14-9-7-13(8-10-14)17(22)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyFCNHRNPOGPKXQC-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-N',N'-dipropyloxamide
CID 108528696
N-(4-iodophenyl)-N',N'-dipropyloxamide
CID 47335998
ethyl 4-[[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500130
ethyl 4-[[2-(N-(4-aminophenyl)anilino)-2-oxoacetyl]amino]benzoate
CID 108500099
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate
CID 108500021
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
ethyl 4-[[2-(cyanomethylamino)-2-oxoacetyl]amino]benzoate
CID 43469171
ethyl 4-[3-[acetyl(butyl)amino]propanoylamino]benzoate
CID 113115882
methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate (CID 108500129) is ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate is CCCN(CCC)C(=O)C(=O)Nc1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
The InChIKey is FCNHRNPOGPKXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-11-19(12-5-2)16(21)15(20)18-14-9-7-13(8-10-14)17(22)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate?
ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate has a molecular weight of 320.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108500129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).