2-oxo-N-(1-phenylethyl)chromene-3-carboxamide

C18H15NO3 — CID 2788317

IUPAC2-oxo-N-(1-phenylethyl)chromene-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-12(13-7-3-2-4-8-13)19-17(20)15-11-14-9-5-6-10-16(14)22-18(15)21/h2-12H,1H3,(H,19,20)
InChIKeyYUPIQXDFYRQCNZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.28
Rot. Bonds3

About 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide

2-oxo-N-(1-phenylethyl)chromene-3-carboxamide (PubChem CID 2788317) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-phenylethyl)chromene-3-carboxamide
PubChem CID2788317
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-oxo-N-(1-phenylethyl)chromene-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-12(13-7-3-2-4-8-13)19-17(20)15-11-14-9-5-6-10-16(14)22-18(15)21/h2-12H,1H3,(H,19,20)
InChIKeyYUPIQXDFYRQCNZ-UHFFFAOYSA-N
XLogP3.28
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide (CID 2788317) is 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide is CC(NC(=O)c1cc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
The InChIKey is YUPIQXDFYRQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(13-7-3-2-4-8-13)19-17(20)15-11-14-9-5-6-10-16(14)22-18(15)21/h2-12H,1H3,(H,19,20).
What are the key properties of 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
2-oxo-N-(1-phenylethyl)chromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 2788317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).