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

C18H15NO3 — CID 728535

IUPAC2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c20-17(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)22-18(15)21/h1-9,12H,10-11H2,(H,19,20)
InChIKeyAYSCLZFZCXBWQO-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.77
Rot. Bonds4

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

2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (PubChem CID 728535) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
PubChem CID728535
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c20-17(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)22-18(15)21/h1-9,12H,10-11H2,(H,19,20)
InChIKeyAYSCLZFZCXBWQO-UHFFFAOYSA-N
XLogP2.77
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.77
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-(2-phenylethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (CID 728535) is 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is O=C(NCCc1ccccc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The InChIKey is AYSCLZFZCXBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)22-18(15)21/h1-9,12H,10-11H2,(H,19,20).
What are the key properties of 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
2-oxo-N-(2-phenylethyl)chromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 728535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).