[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate

C20H19NO6 — CID 19182034

IUPAC[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C20H19NO6/c1-20(2,3)19(24)26-13-7-6-12-9-15(18(23)27-16(12)10-13)17(22)21-11-14-5-4-8-25-14/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyLWBAYSBINKKDOG-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.27
Rot. Bonds4

About [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate

[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate (PubChem CID 19182034) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate
PubChem CID19182034
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C20H19NO6/c1-20(2,3)19(24)26-13-7-6-12-9-15(18(23)27-16(12)10-13)17(22)21-11-14-5-4-8-25-14/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyLWBAYSBINKKDOG-UHFFFAOYSA-N
XLogP3.27
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] thiophene-2-carboxylate
CID 19185223
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19182022
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2-(2,5-dichlorophenoxy)acetate
CID 19180660
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19185233
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 19185243
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate
CID 19185797
N-(furan-2-ylmethyl)-7-hydroxy-2-iminochromene-3-carboxamide
CID 135630907
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] benzoate
CID 19185805

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate (CID 19182034) is [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1.
What is the InChIKey of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate?
The InChIKey is LWBAYSBINKKDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-20(2,3)19(24)26-13-7-6-12-9-15(18(23)27-16(12)10-13)17(22)21-11-14-5-4-8-25-14/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate?
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate has a molecular weight of 369.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 19182034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).