N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide

C19H17NO4 — CID 878147

IUPACN-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-3-20(14-7-5-4-6-8-14)18(21)16-12-13-11-15(23-2)9-10-17(13)24-19(16)22/h4-12H,3H2,1-2H3
InChIKeyOXTIDORSVAMWBU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.47
Rot. Bonds4

About N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide

N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 878147) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID878147
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-3-20(14-7-5-4-6-8-14)18(21)16-12-13-11-15(23-2)9-10-17(13)24-19(16)22/h4-12H,3H2,1-2H3
InChIKeyOXTIDORSVAMWBU-UHFFFAOYSA-N
XLogP3.47
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
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 N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide (CID 878147) is N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide is CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1.
What is the InChIKey of N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is OXTIDORSVAMWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-20(14-7-5-4-6-8-14)18(21)16-12-13-11-15(23-2)9-10-17(13)24-19(16)22/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 878147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).