N-ethyl-2-oxo-N-phenylchromene-3-carboxamide

C18H15NO3 — CID 739281

IUPACN-ethyl-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-2-19(14-9-4-3-5-10-14)17(20)15-12-13-8-6-7-11-16(13)22-18(15)21/h3-12H,2H2,1H3
InChIKeySRRYPBJDOVCLPY-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.46
Rot. Bonds3

About N-ethyl-2-oxo-N-phenylchromene-3-carboxamide

N-ethyl-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 739281) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID739281
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-ethyl-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-2-19(14-9-4-3-5-10-14)17(20)15-12-13-8-6-7-11-16(13)22-18(15)21/h3-12H,2H2,1H3
InChIKeySRRYPBJDOVCLPY-UHFFFAOYSA-N
XLogP3.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
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 N-ethyl-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-phenylchromene-3-carboxamide (CID 739281) is N-ethyl-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-phenylchromene-3-carboxamide is CCN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is SRRYPBJDOVCLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-19(14-9-4-3-5-10-14)17(20)15-12-13-8-6-7-11-16(13)22-18(15)21/h3-12H,2H2,1H3.
What are the key properties of N-ethyl-2-oxo-N-phenylchromene-3-carboxamide?
N-ethyl-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 739281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).