7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide

C17H15NO5 — CID 5262910

IUPAC7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C17H15NO5/c1-2-21-12-6-5-11-8-14(17(20)23-15(11)9-12)16(19)18-10-13-4-3-7-22-13/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyCOBYGTYGVUNXAO-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.71
Rot. Bonds5

About 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide

7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide (PubChem CID 5262910) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
PubChem CID5262910
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C17H15NO5/c1-2-21-12-6-5-11-8-14(17(20)23-15(11)9-12)16(19)18-10-13-4-3-7-22-13/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyCOBYGTYGVUNXAO-UHFFFAOYSA-N
XLogP2.71
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
[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-dimethylpropanoate
CID 19182034
[3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] thiophene-2-carboxylate
CID 19185223
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
[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
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
7-ethoxy-2-oxo-N-(2-piperidin-1-ylethyl)chromene-3-carboxamide
CID 5262868
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide (CID 5262910) is 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide is CCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1.
What is the InChIKey of 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
The InChIKey is COBYGTYGVUNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-2-21-12-6-5-11-8-14(17(20)23-15(11)9-12)16(19)18-10-13-4-3-7-22-13/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).