ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate

C18H18N2O6 — CID 15066353

IUPACethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2ccccc2c1NC(=O)C(=O)OCC
InChIInChI=1S/C18H18N2O6/c1-3-25-17(23)15(21)19-13-10-9-11-7-5-6-8-12(11)14(13)20-16(22)18(24)26-4-2/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXUWWUZRWKSHLHR-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.84
Rot. Bonds4

About ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate

ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate (PubChem CID 15066353) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate
PubChem CID15066353
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Nameethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2ccccc2c1NC(=O)C(=O)OCC
InChIInChI=1S/C18H18N2O6/c1-3-25-17(23)15(21)19-13-10-9-11-7-5-6-8-12(11)14(13)20-16(22)18(24)26-4-2/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXUWWUZRWKSHLHR-UHFFFAOYSA-N
XLogP1.84
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414
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ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
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ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
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ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
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ethyl 2-[(2-nitro-1-benzothiophen-3-yl)amino]-2-oxoacetate
CID 14868511
3,4-bis[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
CID 23451570
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
CID 110471105
ethyl acetate;phenanthrene
CID 160726264
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-phenylanilino]-2-oxoacetate
CID 21416812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate (CID 15066353) is ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc2ccccc2c1NC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate?
The InChIKey is XUWWUZRWKSHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-3-25-17(23)15(21)19-13-10-9-11-7-5-6-8-12(11)14(13)20-16(22)18(24)26-4-2/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate?
ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate has a molecular weight of 358.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 15066353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).