8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide

C18H15NO4 — CID 4523886

IUPAC8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12
InChIInChI=1S/C18H15NO4/c1-2-22-15-10-6-7-12-11-14(18(21)23-16(12)15)17(20)19-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H,19,20)
InChIKeyHLKKKBJIKIKHKZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.44
Rot. Bonds4

About 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide

8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 4523886) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID4523886
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12
InChIInChI=1S/C18H15NO4/c1-2-22-15-10-6-7-12-11-14(18(21)23-16(12)15)17(20)19-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H,19,20)
InChIKeyHLKKKBJIKIKHKZ-UHFFFAOYSA-N
XLogP3.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
3-acetyl-8-ethoxychromen-2-one
CID 3266617
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 41213186
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 121024370
N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
CID 16645463
8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide
CID 90546317

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide (CID 4523886) is 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is HLKKKBJIKIKHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-15-10-6-7-12-11-14(18(21)23-16(12)15)17(20)19-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide?
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 4523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).