N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

C19H17NO4 — CID 708002

IUPACN-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C19H17NO4/c1-3-12-7-4-5-9-15(12)20-18(21)14-11-13-8-6-10-16(23-2)17(13)24-19(14)22/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyXYMVWWVLMNGGEA-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.62
Rot. Bonds4

About N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 708002) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID708002
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C19H17NO4/c1-3-12-7-4-5-9-15(12)20-18(21)14-11-13-8-6-10-16(23-2)17(13)24-19(14)22/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyXYMVWWVLMNGGEA-UHFFFAOYSA-N
XLogP3.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.62
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
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794147
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
N-[2-chloro-5-(2,2,2-trifluoroethyl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 4913051

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (CID 708002) is N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is CCc1ccccc1NC(=O)c1cc2cccc(OC)c2oc1=O.
What is the InChIKey of N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is XYMVWWVLMNGGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-12-7-4-5-9-15(12)20-18(21)14-11-13-8-6-10-16(23-2)17(13)24-19(14)22/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 708002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).