8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

C19H17NO4 — CID 712647

IUPAC8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc12
InChIInChI=1S/C19H17NO4/c1-23-16-9-5-8-14-12-15(19(22)24-17(14)16)18(21)20-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyDFASHCMYEWWMEN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.77
Rot. Bonds5

About 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (PubChem CID 712647) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
PubChem CID712647
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc12
InChIInChI=1S/C19H17NO4/c1-23-16-9-5-8-14-12-15(19(22)24-17(14)16)18(21)20-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyDFASHCMYEWWMEN-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (CID 712647) is 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is COc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The InChIKey is DFASHCMYEWWMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-16-9-5-8-14-12-15(19(22)24-17(14)16)18(21)20-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 712647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).