N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide

C16H13NO5 — CID 891600

IUPACN-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C16H13NO5/c1-20-11-4-5-14-10(7-11)8-13(16(19)22-14)15(18)17-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKYMLEIXRWXFZAW-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.32
Rot. Bonds4

About N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide

N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 891600) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID891600
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC NameN-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C16H13NO5/c1-20-11-4-5-14-10(7-11)8-13(16(19)22-14)15(18)17-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKYMLEIXRWXFZAW-UHFFFAOYSA-N
XLogP2.32
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide (CID 891600) is N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)NCc3ccco3)cc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is KYMLEIXRWXFZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-20-11-4-5-14-10(7-11)8-13(16(19)22-14)15(18)17-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide?
N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 891600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).