2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide

C17H14N2O6 — CID 726147

IUPAC2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide
SMILESNC(=O)COc1cc(OCC(N)=O)c2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C17H14N2O6/c18-14(20)7-23-9-5-12(24-8-15(19)21)16-10-3-1-2-4-11(10)17(22)25-13(16)6-9/h1-6H,7-8H2,(H2,18,20)(H2,19,21)
InChIKeyOUSICZQBEHAVMF-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.67
Rot. Bonds6

About 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide

2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide (PubChem CID 726147) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide
PubChem CID726147
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide
SMILESNC(=O)COc1cc(OCC(N)=O)c2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C17H14N2O6/c18-14(20)7-23-9-5-12(24-8-15(19)21)16-10-3-1-2-4-11(10)17(22)25-13(16)6-9/h1-6H,7-8H2,(H2,18,20)(H2,19,21)
InChIKeyOUSICZQBEHAVMF-UHFFFAOYSA-N
XLogP0.67
TPSA134.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
CID 166604349
1,3-bis[(4-nitrophenyl)methoxy]benzo[c]chromen-6-one
CID 3121200
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 767870
7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 2277193
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 701972
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
CID 677583
2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid
CID 3322999

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide?
The IUPAC name of 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide (CID 726147) is 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide.
What is the SMILES notation for 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide?
The canonical SMILES for 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide is NC(=O)COc1cc(OCC(N)=O)c2c(c1)oc(=O)c1ccccc12.
What is the InChIKey of 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide?
The InChIKey is OUSICZQBEHAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c18-14(20)7-23-9-5-12(24-8-15(19)21)16-10-3-1-2-4-11(10)17(22)25-13(16)6-9/h1-6H,7-8H2,(H2,18,20)(H2,19,21).
What are the key properties of 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide?
2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide has a molecular weight of 342.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide is sourced from PubChem (CID 726147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).