N-(4-ethylphenyl)-4-oxochromene-3-carboxamide

C18H15NO3 — CID 155547187

IUPACN-(4-ethylphenyl)-4-oxochromene-3-carboxamide
SMILESCCc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-12-7-9-13(10-8-12)19-18(21)15-11-22-16-6-4-3-5-14(16)17(15)20/h3-11H,2H2,1H3,(H,19,21)
InChIKeyMQXJQNDJTXQWEN-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.61
Rot. Bonds3

About N-(4-ethylphenyl)-4-oxochromene-3-carboxamide

N-(4-ethylphenyl)-4-oxochromene-3-carboxamide (PubChem CID 155547187) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-oxochromene-3-carboxamide
PubChem CID155547187
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(4-ethylphenyl)-4-oxochromene-3-carboxamide
SMILESCCc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-12-7-9-13(10-8-12)19-18(21)15-11-22-16-6-4-3-5-14(16)17(15)20/h3-11H,2H2,1H3,(H,19,21)
InChIKeyMQXJQNDJTXQWEN-UHFFFAOYSA-N
XLogP3.61
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7079
2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
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VU0357121
CID 2296132
N-(3-chlorophenyl)-4-oxo-4h-chromen-3-carboxamide
CID 132941420
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
2-(4-Methoxyphenyl)-4-quinolinol
CID 9547801
N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-oxochromene-3-carboxamide (CID 155547187) is N-(4-ethylphenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-oxochromene-3-carboxamide is CCc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-oxochromene-3-carboxamide?
The InChIKey is MQXJQNDJTXQWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-12-7-9-13(10-8-12)19-18(21)15-11-22-16-6-4-3-5-14(16)17(15)20/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-4-oxochromene-3-carboxamide?
N-(4-ethylphenyl)-4-oxochromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 155547187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).