[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate

C18H15NO7 — CID 7891680

IUPAC[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
SMILESCCOC(=O)Nc1ccc2c(COC(=O)c3ccco3)cc(=O)oc2c1
InChIInChI=1S/C18H15NO7/c1-2-23-18(22)19-12-5-6-13-11(8-16(20)26-15(13)9-12)10-25-17(21)14-4-3-7-24-14/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyXCOLHSZIDZBSAI-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.31
Rot. Bonds5

About [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate

[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate (PubChem CID 7891680) has the molecular formula C18H15NO7 and a molecular weight of 357.32 g/mol. Its IUPAC name is [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
PubChem CID7891680
Molecular FormulaC18H15NO7
Molecular Weight357.32 g/mol
Exact Mass357.08
IUPAC Name[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
SMILESCCOC(=O)Nc1ccc2c(COC(=O)c3ccco3)cc(=O)oc2c1
InChIInChI=1S/C18H15NO7/c1-2-23-18(22)19-12-5-6-13-11(8-16(20)26-15(13)9-12)10-25-17(21)14-4-3-7-24-14/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyXCOLHSZIDZBSAI-UHFFFAOYSA-N
XLogP3.31
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate
CID 42450559
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 7904603
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2394646
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-phenylsulfanylacetate
CID 40619628
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864026
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-ethylsulfinylbenzoate
CID 55374719
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
CID 46795057
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2423246
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 41463805
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate
CID 55311981
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 41279689

Frequently Asked Questions

What is the IUPAC name of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate?
The IUPAC name of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate (CID 7891680) is [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate?
The canonical SMILES for [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate is CCOC(=O)Nc1ccc2c(COC(=O)c3ccco3)cc(=O)oc2c1.
What is the InChIKey of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate?
The InChIKey is XCOLHSZIDZBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7/c1-2-23-18(22)19-12-5-6-13-11(8-16(20)26-15(13)9-12)10-25-17(21)14-4-3-7-24-14/h3-9H,2,10H2,1H3,(H,19,22).
What are the key properties of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate?
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate has a molecular weight of 357.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 7891680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).